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(Q74410597)
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English
hoerhammericine(1+)
cation
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default values for all languages
No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
organic cation
0 references
ammonium ion derivative
0 references
mass
369.18088370008996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₅N₂O₄⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1=C2Nc3ccccc3C23CC[NH+]2CC4OC4C(C(C)O)(C1)C23
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]([C@]12CC(=C3[C@@]4([C@H]1[NH+](CC4)C[C@H]5[C@@H]2O5)C6=CC=CC=C6N3)C(=O)OC)O
0 references
Identifiers
InChI
InChI=1S/C21H24N2O4/c1-11(24)21-9-12(18(25)26-2)16-20(13-5-3-4-6-14(13)22-16)7-8-23(19(20)21)10-15-17(21)27-15/h3-6,11,15,17,19,22,24H,7-10H2,1-2H3/p+1/t11-,15+,17+,19-,20+,21+/m1/s1
0 references
InChIKey
QVNXPWJNUKKMHP-JJGNIUBRSA-O
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
138911116
1 reference
matched by identifier from
InChIKey
InChIKey
QVNXPWJNUKKMHP-JJGNIUBRSA-O
ChEBI ID
144375
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24N2O4/c1-11(24)21-9-12(18(25)26-2)16-20(13-5-3-4-6-14(13)22-16)7-8-23(19(20)21)10-15-17(21)27-15/h3-6,11,15,17,19,22,24H,7-10H2,1-2H3/p+1/t11-,15+,17+,19-,20+,21+/m1/s1
UniChem compound ID
170274336
1 reference
stated in
UniChem
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