[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)-(pyridin-4-ylmethyl)azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)-(4-pyridylmethyl)ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-methyl-4-piperidin-1-iumyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)-(pyridin-4-ylmethyl)azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)-(4-pyridylmethyl)ammonium Formula: C24H33N5+2 MolecularWeight: 391.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](CC3=CC=NC=C3)C4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](CC3=CC=NC=C3)C4CC[NH+](CC4)C)C

InChI

InChI=1S/C24H31N5/c1-18-4-5-21(14-19(18)2)24-22(15-26-27-24)17-29(16-20-6-10-25-11-7-20)23-8-12-28(3)13-9-23/h4-7,10-11,14-15,23H,8-9,12-13,16-17H2,1-3H3,(H,26,27)/p+2