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

Systemtic Name: [1-(4-methylphenyl)-3-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [3-phenyl-1-(p-tolyl)pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [1-(4-methylphenyl)-3-phenyl-4-pyrazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: [3-phenyl-1-(p-tolyl)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=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC[NH+]5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC[NH+]5CCCC5

InChI

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