N-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate

Systemtic Name: N-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate Openeye Name: N-[1-[2-oxo-2-(p-tolyl)ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate CAS Name: N-[1-[2-(4-methylphenyl)-2-oxoethyl]-3-pyridin-1-iumyl]benzamide bromide hydrate IUPAC Name: N-[1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate Traditional Name: N-[1-[2-keto-2-(p-tolyl)ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3.O.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3.O.[Br-]

InChI

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