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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-(4-cyanobenzyl)piperazin-4-ium-1-carboxamide Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4O/c21-19-3-1-2-18(12-19)14-23-20(26)25-10-8-24(9-11-25)15-17-6-4-16(13-22)5-7-17/h1-7,12H,8-11,14-15H2,(H,23,26)/p+1