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

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-propan-2-yloxyethyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-isopropoxyethyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(2-propan-2-yloxyethyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-propan-2-yloxyethyl)azanium Traditional Name: [4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(2-isopropoxyethyl)ammonium Formula: C22H38N2O5+2 MolecularWeight: 410.54752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O5/c1-17(2)28-13-10-23-14-18-4-6-21(7-5-18)29-16-20(25)15-24-11-8-19(9-12-24)22(26)27-3/h4-7,17,19-20,23,25H,8-16H2,1-3H3/p+2/t20-/m0/s1