1-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-oxo-2-(1-phenylethylamino)ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-oxo-2-(1-phenylethylamino)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-oxo-2-(1-phenylethylamino)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-keto-2-(1-phenylethylamino)ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

InChI

InChI=1S/C16H17N3O2.ClH/c1-12(13-6-3-2-4-7-13)18-15(20)11-19-9-5-8-14(10-19)16(17)21;/h2-10,12H,11H2,1H3,(H2-,17,18,20,21);1H