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

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-dimethyl-azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-dimethyl-ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-dimethylammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-dimethylazanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-dimethyl-ammonium Formula: C19H32N2O4+2 MolecularWeight: 352.46838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4/c1-20(2)12-15-5-4-6-18(11-15)25-14-17(22)13-21-9-7-16(8-10-21)19(23)24-3/h4-6,11,16-17,22H,7-10,12-14H2,1-3H3/p+2/t17-/m0/s1