4-[(4-cyanophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(4-cyanobenzyl)-N-(3,4,5-trimethoxybenzyl)piperazin-4-ium-1-carboxamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H28N4O4/c1-29-20-12-19(13-21(30-2)22(20)31-3)15-25-23(28)27-10-8-26(9-11-27)16-18-6-4-17(14-24)5-7-18/h4-7,12-13H,8-11,15-16H2,1-3H3,(H,25,28)/p+1