[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-phenyl-3-(p-tolyl)pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [1-phenyl-3-(p-tolyl)pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C27H28N5O+ MolecularWeight: 438.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O/c1-21-7-9-23(10-8-21)26-25(20-32(29-26)24-5-3-2-4-6-24)27(33)31-17-15-30(16-18-31)19-22-11-13-28-14-12-22/h2-14,20H,15-19H2,1H3/p+1