[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methylphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(o-tolyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(2-methylphenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(o-tolyl)methanone Formula: C25H27N2O+ MolecularWeight: 371.49468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O/c1-20-10-8-9-15-23(20)25(28)27-18-16-26(17-19-27)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,24H,16-19H2,1H3/p+1