(Q27126981)

CHEBI:59950 (English)

6 October 2016

chemical formula

C₁₈H₂₀NO₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH+]1CCC23C4C(=O)CC=C2C1CC5=C3C(=C(C=C5)OC)O4

1 reference

CHEBI:59950 (English)

6 October 2016

isomeric SMILES

C[NH+]1CC[C@]23[C@@H]4C(=O)CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4

1 reference

CHEBI:59950 (English)

InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3/p+1/t12-,17+,18+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:59950 (English)

LJVKMVSYTWPNGA-UUWFMWQGSA-O

6 October 2016

InChIKey

2 references

CHEBI:59950 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5alpha,17S)-3-Methoxy-17-methyl-6-oxo-8,14-didehydro-4,5-epoxymorphinan-17-ium (English)

6 October 2016

2 references

CHEBI:59950 (English)

matched by identifier from

6 October 2016

InChIKey

LJVKMVSYTWPNGA-UUWFMWQGSA-O

ChEBI ID

59950

mapping relation type

2 references

neopinone(1+) (English)