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

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3/c1-30-21-11-6-5-10-20(21)27(13-7-12-24)22(28)18-25-14-16-26(17-15-25)23(29)19-8-3-2-4-9-19/h2-6,8-11H,7,13-18H2,1H3/p+1