2-methoxy-6-[[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-6-[[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-6-[[(3S)-3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-6-[[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-6-[[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-6-[[(3S)-3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CCC[NH+](C3)CC4=C(C(=CC=C4)OC)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=C(C(=CC=C4)OC)O

InChI

InChI=1S/C23H27N3O2/c1-16-7-3-4-10-19(16)20-13-24-25-22(20)17-9-6-12-26(14-17)15-18-8-5-11-21(28-2)23(18)27/h3-5,7-8,10-11,13,17,27H,6,9,12,14-15H2,1-2H3,(H,24,25)/p+1/t17-/m0/s1