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

Systemtic Name: [3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(o-tolyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(o-tolyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c1-23-10-8-9-15-26(23)28-27(22-33(30-28)24-11-4-2-5-12-24)29(34)32-18-16-31(17-19-32)20-21-35-25-13-6-3-7-14-25/h2-15,22H,16-21H2,1H3/p+1