[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C25H34N4+2 MolecularWeight: 390.56426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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