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

Systemtic Name: [1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorobenzyl)-3-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C24H28ClN4O+ MolecularWeight: 423.95832

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H27ClN4O/c1-2-12-27-13-15-28(16-14-27)24(30)21-18-29(17-20-10-6-7-11-22(20)25)26-23(21)19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3/p+1