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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=C(C=CC=C4OC)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=C(C=CC=C4OC)O

InChI

InChI=1S/C23H27N3O2/c1-16-6-3-7-17(12-16)19-13-24-25-23(19)18-8-5-11-26(14-18)15-20-21(27)9-4-10-22(20)28-2/h3-4,6-7,9-10,12-13,18,27H,5,8,11,14-15H2,1-2H3,(H,24,25)/p+1/t18-/m0/s1