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(Q74417921)
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English
(+)-minovincinine(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
355.20161914408993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₇N₂O₃⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1=C2Nc3ccccc3C23CC[NH+]2CCCC(C(C)O)(C1)C23
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]([C@]12CCC[NH+]3[C@H]1[C@]4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC)O
0 references
Identifiers
InChI
InChI=1S/C21H26N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-4,6-7,13,19,22,24H,5,8-12H2,1-2H3/p+1/t13-,19+,20+,21+/m0/s1
0 references
InChIKey
BKMGDPNQILJWLI-ODVVLEEXSA-O
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
138911111
0 references
ChEBI ID
144371
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H26N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-4,6-7,13,19,22,24H,5,8-12H2,1-2H3/p+1/t13-,19+,20+,21+/m0/s1
UniChem compound ID
170274332
1 reference
stated in
UniChem
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