[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Formula: C21H22ClN4O+ MolecularWeight: 381.87858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H21ClN4O/c22-19-4-1-3-17(15-19)16-24-11-13-25(14-12-24)21(27)18-5-7-20(8-6-18)26-10-2-9-23-26/h1-10,15H,11-14,16H2/p+1