2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N,N-bis(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N,N-bis(phenylmethyl)ethanamide Openeye Name: N,N-dibenzyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N,N-bis(phenylmethyl)acetamide IUPAC Name: N,N-dibenzyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dibenzyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C27H32N3O+ MolecularWeight: 414.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O/c1-23-10-8-9-15-26(23)29-18-16-28(17-19-29)22-27(31)30(20-24-11-4-2-5-12-24)21-25-13-6-3-7-14-25/h2-15H,16-22H2,1H3/p+1