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

Systemtic Name: 1-(2-oxidanylidenepropyl)-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-acetonyl-N-benzyl-pyridin-1-ium-4-carboxamide bromide CAS Name: 1-(2-oxopropyl)-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-(2-oxopropyl)pyridin-1-ium-4-carboxamide bromide Traditional Name: 1-acetonyl-N-benzyl-pyridin-1-ium-4-carboxamide bromide Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2.BrH/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;1H