1-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2-isopropylanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2-isopropylanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

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