(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium

Systemtic Name: (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium Openeye Name: (3S)-1-isobutyl-3-[4-(p-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium IUPAC Name: (3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium Traditional Name: (3S)-1-isobutyl-3-[4-(p-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C19H28N3+ MolecularWeight: 298.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC(C)C

InChI

InChI=1S/C19H27N3/c1-14(2)12-22-10-4-5-17(13-22)19-18(11-20-21-19)16-8-6-15(3)7-9-16/h6-9,11,14,17H,4-5,10,12-13H2,1-3H3,(H,20,21)/p+1/t17-/m0/s1