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(Q74410788)
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English
lochnericine(1+)
cation
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Statements
instance of
group of stereoisomers
0 references
subclass of
organic cation
0 references
ammonium ion derivative
0 references
mass
353.18596908009
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₅N₂O₃⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC12CC(C(=O)OC)=C3Nc4ccccc4C34CC[NH+](CC3OC31)C42
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@]12CC(=C3[C@@]4([C@H]1[NH+](CC4)C[C@H]5[C@@H]2O5)C6=CC=CC=C6N3)C(=O)OC
0 references
Identifiers
InChI
InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/p+1/t15-,17-,19-,20+,21-/m0/s1
0 references
InChIKey
AUVZFRDLRJQTQF-KXEYLTKFSA-O
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
138911115
1 reference
matched by identifier from
InChIKey
InChIKey
AUVZFRDLRJQTQF-KXEYLTKFSA-O
ChEBI ID
144374
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/p+1/t15-,17-,19-,20+,21-/m0/s1
UniChem compound ID
170274335
1 reference
stated in
UniChem
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