8-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[(3S)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[(3S)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Formula: C25H27N4+ MolecularWeight: 383.50868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H26N4/c1-18-6-2-8-20(14-18)23-15-27-28-25(23)22-11-5-13-29(17-22)16-21-9-3-7-19-10-4-12-26-24(19)21/h2-4,6-10,12,14-15,22H,5,11,13,16-17H2,1H3,(H,27,28)/p+1/t22-/m0/s1