[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-benzyl-3-(p-tolyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(p-tolyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)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)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=CC=C5

InChI

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