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

Systemtic Name: [3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [1-phenyl-3-(p-tolyl)pyrazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [1-phenyl-3-(p-tolyl)pyrazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C26H26N5O+ MolecularWeight: 424.51754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O/c1-20-7-9-21(10-8-20)25-24(19-31(28-25)23-5-3-2-4-6-23)26(32)30-17-15-29(16-18-30)22-11-13-27-14-12-22/h2-14,19H,15-18H2,1H3/p+1