1-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbonitrile chloride

Systemtic Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbonitrile chloride Openeye Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]pyridin-1-ium-4-carbonitrile chloride CAS Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-pyridin-1-iumcarbonitrile chloride IUPAC Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-4-carbonitrile chloride Traditional Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]pyridin-1-ium-4-carbonitrile chloride Formula: C20H17BrClN3O MolecularWeight: 430.72548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)C[N+]3=CC=C(C=C3)C#N.[Cl-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)C[N+]3=CC=C(C=C3)C#N.[Cl-]

InChI

InChI=1S/C20H17BrN3O.ClH/c1-14-11-19(15(2)24(14)18-5-3-17(21)4-6-18)20(25)13-23-9-7-16(12-22)8-10-23;/h3-11H,13H2,1-2H3;1H/q+1;/p-1