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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O5/c1-22(11-12-26-2)14-17-5-4-6-20(13-17)28-16-19(24)15-23-9-7-18(8-10-23)21(25)27-3/h4-6,13,18-19,24H,7-12,14-16H2,1-3H3/p+2/t19-/m1/s1