methyl-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: methyl-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]ammonium CAS Name: methyl-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: methyl-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]ammonium Formula: C25H34N4+2 MolecularWeight: 390.56426

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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+](C)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+](C)C4CC[NH+](CC4)C

InChI

InChI=1S/C25H32N4/c1-19-8-10-24(11-9-19)29-18-22(17-28(4)23-12-14-27(3)15-13-23)25(26-29)21-7-5-6-20(2)16-21/h5-11,16,18,23H,12-15,17H2,1-4H3/p+2