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

Systemtic Name: [3-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzyl]-(3-isopropoxypropyl)ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O4/c1-17(2)26-12-4-9-22-14-18-5-3-6-21(13-18)27-16-20(25)15-23-10-7-19(24)8-11-23/h3,5-6,13,17,19-20,22,24-25H,4,7-12,14-16H2,1-2H3/p+2/t20-/m1/s1