2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-18-7-5-6-10-20(18)16-23-11-13-24(14-12-23)17-21(25)22-15-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25)/p+2