4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O/c1-20-7-5-6-10-24(20)28-17-15-27(16-18-28)19-21-11-13-22(14-12-21)25(29)26-23-8-3-2-4-9-23/h2-14H,15-19H2,1H3,(H,26,29)/p+1