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

Systemtic Name: [3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [3-(m-tolyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: [3-(3-methylphenyl)-1-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: [3-(m-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(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

InChI

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