4-[(4-cyanophenyl)methyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(4-cyanobenzyl)-N-m-anisyl-piperazin-4-ium-1-carboxamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O2/c1-27-20-4-2-3-19(13-20)15-23-21(26)25-11-9-24(10-12-25)16-18-7-5-17(14-22)6-8-18/h2-8,13H,9-12,15-16H2,1H3,(H,23,26)/p+1