tert-butyl 1-[(4-methoxycarbonylcyclohexyl)oxy-methylsulfanyl-methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(4-methoxycarbonylcyclohexyl)oxy-methylsulfanyl-methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[(4-methoxycarbonylcyclohexoxy)-methylsulfanyl-methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[(4-methoxycarbonylcyclohexyl)oxy-(methylthio)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-methoxycarbonylcyclohexyl)oxy-methylsulfanylmethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxycyclohexoxy)-(methylthio)methyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H34NO5S+ MolecularWeight: 388.54196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34NO5S/c1-19(2,3)25-17(22)20(12-6-7-13-20)18(26-5)24-15-10-8-14(9-11-15)16(21)23-4/h14-15,18H,6-13H2,1-5H3/q+1