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

Systemtic Name: 2,6-dimethoxy-4-[[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[(3S)-3-[4-(p-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[(3S)-3-[4-(p-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=CC(=C(C(=C4)OC)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=CC(=C(C(=C4)OC)O)OC

InChI

InChI=1S/C24H29N3O3/c1-16-6-8-18(9-7-16)20-13-25-26-23(20)19-5-4-10-27(15-19)14-17-11-21(29-2)24(28)22(12-17)30-3/h6-9,11-13,19,28H,4-5,10,14-15H2,1-3H3,(H,25,26)/p+1/t19-/m0/s1