[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(m-tolyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(3-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(m-tolyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-3-12-26-13-15-27(16-14-26)24(29)22-18-28(21-10-5-4-6-11-21)25-23(22)20-9-7-8-19(2)17-20/h4-11,17-18H,3,12-16H2,1-2H3/p+1