[1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCC(CC4)C(=O)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCC(CC4)C(=O)N5CCCC5

InChI

InChI=1S/C28H34N4O/c1-21-8-10-26(11-9-21)32-20-25(27(29-32)24-7-5-6-22(2)18-24)19-30-16-12-23(13-17-30)28(33)31-14-3-4-15-31/h5-11,18,20,23H,3-4,12-17,19H2,1-2H3/p+1