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

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methanone IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanone Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methanone Formula: C23H27N4O2+ MolecularWeight: 391.48608

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-18-7-9-19(10-8-18)22-21(17-27(24-22)20-5-3-2-4-6-20)23(29)26-13-11-25(12-14-26)15-16-28/h2-10,17,28H,11-16H2,1H3/p+1