[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone CAS Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(4-chlorophenyl)-1H-pyrazol-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)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

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