[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [3,5-dimethyl-1-(o-tolyl)pyrazol-4-yl]methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: [3,5-dimethyl-1-(2-methylphenyl)-4-pyrazolyl]methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [3,5-dimethyl-1-(o-tolyl)pyrazol-4-yl]methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C27H31N4+ MolecularWeight: 411.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4)C

InChI

InChI=1S/C27H30N4/c1-21-9-7-8-12-27(21)31-23(3)26(22(2)29-31)20-30(19-25-13-16-28-17-14-25)18-15-24-10-5-4-6-11-24/h4-14,16-17H,15,18-20H2,1-3H3/p+1