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

Systemtic Name: 4-[[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 4-[[(3S)-3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 4-[[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 4-[[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 4-[[(3S)-3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Formula: C25H27N4+ MolecularWeight: 383.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CCC[NH+](C3)CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C25H26N4/c1-18-7-2-3-9-21(18)23-15-27-28-25(23)20-8-6-14-29(17-20)16-19-12-13-26-24-11-5-4-10-22(19)24/h2-5,7,9-13,15,20H,6,8,14,16-17H2,1H3,(H,27,28)/p+1/t20-/m0/s1