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

Systemtic Name: N-[1-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-yl]benzamide bromide hydrate Openeye Name: N-[1-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate CAS Name: N-[1-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3-pyridin-1-iumyl]benzamide bromide hydrate IUPAC Name: N-[1-[1-(4-bromophenyl)-1-oxopropan-2-yl]pyridin-1-ium-3-yl]benzamide bromide hydrate Traditional Name: N-[1-[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-yl]benzamide bromide hydrate Formula: C21H20Br2N2O3 MolecularWeight: 508.2031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O2.BrH.H2O/c1-15(20(25)16-9-11-18(22)12-10-16)24-13-5-8-19(14-24)23-21(26)17-6-3-2-4-7-17;;/h2-15H,1H3;1H;1H2