1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(N-isopropylanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(N-isopropylanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2.ClH/c1-13(2)20(15-8-4-3-5-9-15)16(21)12-19-10-6-7-14(11-19)17(18)22;/h3-11,13H,12H2,1-2H3,(H-,18,22);1H