1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(homoveratrylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)N)OC

InChI

InChI=1S/C18H21N3O4/c1-24-15-6-5-13(10-16(15)25-2)7-8-20-17(22)12-21-9-3-4-14(11-21)18(19)23/h3-6,9-11H,7-8,12H2,1-2H3,(H2-,19,20,22,23)/p+1