1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(4-butylanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(4-butylanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(4-butylanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(4-butylanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C18H21N3O2/c1-2-3-5-14-7-9-16(10-8-14)20-17(22)13-21-11-4-6-15(12-21)18(19)23/h4,6-12H,2-3,5,13H2,1H3,(H2-,19,20,22,23)/p+1