N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]-N-p-phenetyl-acetamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C26H32N4O3/c1-3-21-6-8-22(9-7-21)26(32)29-18-16-28(17-19-29)20-25(31)30(15-5-14-27)23-10-12-24(13-11-23)33-4-2/h6-13H,3-5,15-20H2,1-2H3/p+1