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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

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