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

Systemtic Name: 2-methoxy-6-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-methoxy-6-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-6-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(NN=C1)C2CCC[NH+](C2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CC(C)CC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C20H29N3O2/c1-14(2)10-17-11-21-22-19(17)15-7-5-9-23(12-15)13-16-6-4-8-18(25-3)20(16)24/h4,6,8,11,14-15,24H,5,7,9-10,12-13H2,1-3H3,(H,21,22)/p+1/t15-/m0/s1