2-(3,4-dimethyl-1H-pyrrol-2-yl)-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium bromide

Systemtic Name: 2-(3,4-dimethyl-1H-pyrrol-2-yl)-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium bromide Openeye Name: 2-(3,4-dimethyl-1H-pyrrol-2-yl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium bromide CAS Name: 2-(3,4-dimethyl-1H-pyrrol-2-yl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium bromide IUPAC Name: 2-(3,4-dimethyl-1H-pyrrol-2-yl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium bromide Traditional Name: 2-(3,4-dimethyl-1H-pyrrol-2-yl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium bromide Formula: C19H20BrN5 MolecularWeight: 398.2996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1C)N2NC(=N[NH+]2C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CNC(=C1C)N2NC(=N[NH+]2C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C19H19N5.BrH/c1-14-13-20-19(15(14)2)24-22-18(16-9-5-3-6-10-16)21-23(24)17-11-7-4-8-12-17;/h3-13,20H,1-2H3,(H,21,22);1H