2-methylpropyl-[[3-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium

Systemtic Name: 2-methylpropyl-[[3-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl-isobutyl-ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methylpropyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzyl]-isobutyl-ammonium Formula: C19H34N2O3+2 MolecularWeight: 338.48486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)O)O

Isomeric SMILES

CC(C)C[NH2+]CC1=CC(=CC=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O

InChI

InChI=1S/C19H32N2O3/c1-15(2)11-20-12-16-4-3-5-19(10-16)24-14-18(23)13-21-8-6-17(22)7-9-21/h3-5,10,15,17-18,20,22-23H,6-9,11-14H2,1-2H3/p+2/t18-/m1/s1