4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-methylsulfanyl-methoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-methylsulfanyl-methoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-methylsulfanyl-methoxy]cyclohexanecarboxylic acid CAS Name: 4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidin-1-iumyl]-(methylthio)methoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-methylsulfanylmethoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-(methylthio)methoxy]cyclohexanecarboxylic acid Formula: C18H32NO5S+ MolecularWeight: 374.51538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1)C(OC2CCC(CC2)C(=O)O)SC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1)C(OC2CCC(CC2)C(=O)O)SC

InChI

InChI=1S/C18H31NO5S/c1-18(2,3)24-16(22)19(11-5-6-12-19)17(25-4)23-14-9-7-13(8-10-14)15(20)21/h13-14,17H,5-12H2,1-4H3/p+1