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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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