[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Openeye Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(5-cyclopropyl-2-phenyl-3-pyrazolyl)methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenylpyrazol-3-yl)methanone Traditional Name: [4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Formula: C24H26ClN4O+ MolecularWeight: 421.94244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C24H25ClN4O/c25-20-10-6-18(7-11-20)17-27-12-14-28(15-13-27)24(30)23-16-22(19-8-9-19)26-29(23)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2/p+1