[(2S)-2-ethylhexyl]-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C19H30N3+ MolecularWeight: 300.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=C(NN=C1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=C(NN=C1)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H29N3/c1-4-6-7-16(5-2)12-20-13-18-14-21-22-19(18)17-10-8-15(3)9-11-17/h8-11,14,16,20H,4-7,12-13H2,1-3H3,(H,21,22)/p+1/t16-/m0/s1