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

Systemtic Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)N)OCC

InChI

InChI=1S/C20H25N3O4/c1-3-26-17-8-7-15(12-18(17)27-4-2)9-10-22-19(24)14-23-11-5-6-16(13-23)20(21)25/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H2-,21,22,24,25)/p+1