[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CCO)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CCO)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O2/c1-18-8-9-21(19(2)16-18)23-22(17-28(25-23)20-6-4-3-5-7-20)24(30)27-12-10-26(11-13-27)14-15-29/h3-9,16-17,29H,10-15H2,1-2H3/p+1