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

Systemtic Name: 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H17ClN3O2+ MolecularWeight: 318.77808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)NCCC2=CC=C(C=C2)Cl)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)NCCC2=CC=C(C=C2)Cl)C(=O)N

InChI

InChI=1S/C16H16ClN3O2/c17-14-5-3-12(4-6-14)7-8-19-15(21)11-20-9-1-2-13(10-20)16(18)22/h1-6,9-10H,7-8,11H2,(H2-,18,19,21,22)/p+1