N-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-4-amine

Systemtic Name: N-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-4-amine Openeye Name: N-[[3-(4-ethylphenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-4-amine CAS Name: N-[[3-(4-ethylphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl]-1-methyl-4-piperidin-1-iumamine IUPAC Name: N-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-methylpiperidin-1-ium-4-amine Traditional Name: [3-(4-ethylphenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C25H33N4+ MolecularWeight: 389.55632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2CNC3CC[NH+](CC3)C)C4=CC=CC=C4C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2CNC3CC[NH+](CC3)C)C4=CC=CC=C4C

InChI

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