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

Systemtic Name: tert-butyl-[[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: tert-butyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: tert-butyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: tert-butyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: tert-butyl-[3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C21H36N2O4+2 MolecularWeight: 380.52154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4/c1-21(2,3)22-13-16-6-5-7-19(12-16)27-15-18(24)14-23-10-8-17(9-11-23)20(25)26-4/h5-7,12,17-18,22,24H,8-11,13-15H2,1-4H3/p+2/t18-/m0/s1