(2-methylphenyl)-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]methanone

Systemtic Name: (2-methylphenyl)-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]methanone Openeye Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-pyrrol-3-yl]methanone IUPAC Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-(2-methylphenyl)methanone Traditional Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-(o-tolyl)methanone Formula: C24H26N3O2+ MolecularWeight: 388.48214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2/c1-18-7-5-6-10-21(18)23(28)20-15-22(25-16-20)24(29)27-13-11-26(12-14-27)17-19-8-3-2-4-9-19/h2-10,15-16,25H,11-14,17H2,1H3/p+1