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

Systemtic Name: N-(2-cyanoethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-(4-p-anisylpiperazine-1,4-diium-1-yl)-N-phenyl-acetamide Formula: C23H30N4O2+2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2/c1-29-22-10-8-20(9-11-22)18-25-14-16-26(17-15-25)19-23(28)27(13-5-12-24)21-6-3-2-4-7-21/h2-4,6-11H,5,13-19H2,1H3/p+2