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

Systemtic Name: N-(4-methylcyclohexyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-methylcyclohexyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-methylcyclohexyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-methylcyclohexyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-N-(4-methylcyclohexyl)acetamide Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1CCC(CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H33N3O/c1-17-7-9-20(10-8-17)22-21(25)16-24-13-11-23(12-14-24)15-19-6-4-3-5-18(19)2/h3-6,17,20H,7-16H2,1-2H3,(H,22,25)/p+2