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

Systemtic Name: N-(4-chlorophenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-(4-cyanobenzyl)piperazin-4-ium-1-carboxamide Formula: C19H20ClN4O+ MolecularWeight: 355.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN4O/c20-17-5-7-18(8-6-17)22-19(25)24-11-9-23(10-12-24)14-16-3-1-15(13-21)2-4-16/h1-8H,9-12,14H2,(H,22,25)/p+1