N-[1-(1-oxidanylidene-1-phenyl-propan-2-yl)pyridin-1-ium-3-yl]benzamide bromide hydrate

Systemtic Name: N-[1-(1-oxidanylidene-1-phenyl-propan-2-yl)pyridin-1-ium-3-yl]benzamide bromide hydrate Openeye Name: N-[1-(1-methyl-2-oxo-2-phenyl-ethyl)pyridin-1-ium-3-yl]benzamide bromide hydrate CAS Name: N-[1-(1-oxo-1-phenylpropan-2-yl)-3-pyridin-1-iumyl]benzamide bromide hydrate IUPAC Name: N-[1-(1-oxo-1-phenylpropan-2-yl)pyridin-1-ium-3-yl]benzamide bromide hydrate Traditional Name: N-[1-(2-keto-1-methyl-2-phenyl-ethyl)pyridin-1-ium-3-yl]benzamide bromide hydrate Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3.O.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3.O.[Br-]

InChI

InChI=1S/C21H18N2O2.BrH.H2O/c1-16(20(24)17-9-4-2-5-10-17)23-14-8-13-19(15-23)22-21(25)18-11-6-3-7-12-18;;/h2-16H,1H3;1H;1H2