[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-[(1S)-1-pyridin-4-ylpropyl]azanium

Systemtic Name: [3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-[(1S)-1-pyridin-4-ylpropyl]azanium Openeye Name: [3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl-[(1S)-1-(4-pyridyl)propyl]ammonium CAS Name: [3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl-[(1S)-1-pyridin-4-ylpropyl]ammonium IUPAC Name: [3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-[(1S)-1-pyridin-4-ylpropyl]azanium Traditional Name: [3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl-[(1S)-1-(4-pyridyl)propyl]ammonium Formula: C26H29N4+ MolecularWeight: 397.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)[NH2+]CC2=CN(N=C2C3=CC(=CC=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CC[C@@H](C1=CC=NC=C1)[NH2+]CC2=CN(N=C2C3=CC(=CC=C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H28N4/c1-4-25(21-12-14-27-15-13-21)28-17-23-18-30(24-10-8-19(2)9-11-24)29-26(23)22-7-5-6-20(3)16-22/h5-16,18,25,28H,4,17H2,1-3H3/p+1/t25-/m0/s1