2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(3-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=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

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