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

Systemtic Name: 1-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide bromide hydrate Openeye Name: 1-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide hydrate CAS Name: 1-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide bromide hydrate IUPAC Name: 1-[1-(4-bromophenyl)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide bromide hydrate Traditional Name: 1-[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-carboxamide bromide hydrate Formula: C15H16Br2N2O3 MolecularWeight: 432.10714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O2.BrH.H2O/c1-10(14(19)11-4-6-13(16)7-5-11)18-8-2-3-12(9-18)15(17)20;;/h2-10H,1H3,(H-,17,20);1H;1H2