4-[(3-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(m-tolylmethyl)-N-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(3-methylbenzyl)-N-(4-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C21H27N3O/c1-17-6-8-19(9-7-17)15-22-21(25)24-12-10-23(11-13-24)16-20-5-3-4-18(2)14-20/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1