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

Systemtic Name: N-(2-cyanoethyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-N-phenyl-acetamide Formula: C23H30N4O+2 MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O/c1-20-8-5-6-9-21(20)18-25-14-16-26(17-15-25)19-23(28)27(13-7-12-24)22-10-3-2-4-11-22/h2-6,8-11H,7,13-19H2,1H3/p+2