[2-propan-2-yloxy-5-[[[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]amino]methyl]phenyl]methanol

Systemtic Name: [2-propan-2-yloxy-5-[[[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]amino]methyl]phenyl]methanol Openeye Name: [2-isopropoxy-5-[[[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amino]methyl]phenyl]methanol CAS Name: [2-propan-2-yloxy-5-[[[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]amino]methyl]phenyl]methanol IUPAC Name: [2-propan-2-yloxy-5-[[[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]amino]methyl]phenyl]methanol Traditional Name: [2-isopropoxy-5-[[[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amino]methyl]phenyl]methanol Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CNC2CCC[NH+](C2)CC3=CC=CC=N3)CO

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CN[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)CO

InChI

InChI=1S/C22H31N3O2/c1-17(2)27-22-9-8-18(12-19(22)16-26)13-24-21-7-5-11-25(15-21)14-20-6-3-4-10-23-20/h3-4,6,8-10,12,17,21,24,26H,5,7,11,13-16H2,1-2H3/p+1/t21-/m0/s1