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

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(5-cyclopropyl-2-phenyl-3-pyrazolyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenylpyrazol-3-yl)methanone Traditional Name: [4-(3-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(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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