N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2/c1-28-21-10-8-19(9-11-21)25-16-14-24(15-17-25)18-22(27)26(13-5-12-23)20-6-3-2-4-7-20/h2-4,6-11H,5,13-18H2,1H3/p+1