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

Systemtic Name: [3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [3-(o-tolyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: [3-(o-tolyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]methanone Formula: C27H34N5O+ MolecularWeight: 444.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O/c1-22-9-5-6-12-24(22)26-25(21-32(28-26)23-10-3-2-4-11-23)27(33)31-19-17-30(18-20-31)16-15-29-13-7-8-14-29/h2-6,9-12,21H,7-8,13-20H2,1H3/p+1