1-(2-oxidanylidenepropyl)-N-(phenylmethyl)pyridin-1-ium-4-carboxamide

Systemtic Name: 1-(2-oxidanylidenepropyl)-N-(phenylmethyl)pyridin-1-ium-4-carboxamide Openeye Name: 1-acetonyl-N-benzyl-pyridin-1-ium-4-carboxamide CAS Name: 1-(2-oxopropyl)-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-1-(2-oxopropyl)pyridin-1-ium-4-carboxamide Traditional Name: 1-acetonyl-N-benzyl-pyridin-1-ium-4-carboxamide Formula: C16H17N2O2+ MolecularWeight: 269.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)C[N+]1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2/c1-13(19)12-18-9-7-15(8-10-18)16(20)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/p+1