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

Systemtic Name: tert-butyl 1-[(4-methoxycarbonylcyclohexyl)oxy-phenylsulfanyl-methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[(4-methoxycarbonylcyclohexoxy)-phenylsulfanyl-methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[(4-methoxycarbonylcyclohexyl)oxy-(phenylthio)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-methoxycarbonylcyclohexyl)oxy-phenylsulfanylmethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxycyclohexoxy)-(phenylthio)methyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H36NO5S+ MolecularWeight: 450.61134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1)C(OC2CCC(CC2)C(=O)OC)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1)C(OC2CCC(CC2)C(=O)OC)SC3=CC=CC=C3

InChI

InChI=1S/C24H36NO5S/c1-24(2,3)30-22(27)25(16-8-9-17-25)23(31-20-10-6-5-7-11-20)29-19-14-12-18(13-15-19)21(26)28-4/h5-7,10-11,18-19,23H,8-9,12-17H2,1-4H3/q+1