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

Systemtic Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbonitrile Openeye Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]pyridin-1-ium-4-carbonitrile CAS Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-pyridin-1-iumcarbonitrile IUPAC Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-4-carbonitrile Traditional Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]pyridin-1-ium-4-carbonitrile Formula: C20H17BrN3O+ MolecularWeight: 395.27248

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN3O/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/q+1