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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C24H30N4O3/c1-3-31-23-12-7-4-9-20(23)27-17-15-26(16-18-27)19-24(29)28(14-8-13-25)21-10-5-6-11-22(21)30-2/h4-7,9-12H,3,8,14-19H2,1-2H3/p+1