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

Systemtic Name: N-(4-methylcyclohexyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-methylcyclohexyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-methylcyclohexyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-methylcyclohexyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-N-(4-methylcyclohexyl)acetamide Formula: C21H35N3O+2 MolecularWeight: 345.5221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

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