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

Systemtic Name: [3-[(2R)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-methoxypropyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-methoxypropyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-methoxypropyl)azanium Traditional Name: [3-[(2R)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-methoxypropyl)ammonium Formula: C21H36N2O5+2 MolecularWeight: 396.52094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O5/c1-26-12-4-9-22-14-17-5-3-6-20(13-17)28-16-19(24)15-23-10-7-18(8-11-23)21(25)27-2/h3,5-6,13,18-19,22,24H,4,7-12,14-16H2,1-2H3/p+2/t19-/m1/s1