[(1R,2S)-2-(phenylmethylsulfanyl)cyclohexyl] 3-morpholin-4-ium-4-ylpropanoate

Systemtic Name: [(1R,2S)-2-(phenylmethylsulfanyl)cyclohexyl] 3-morpholin-4-ium-4-ylpropanoate Openeye Name: [(1R,2S)-2-benzylsulfanylcyclohexyl] 3-morpholin-4-ium-4-ylpropanoate CAS Name: 3-(4-morpholin-4-iumyl)propanoic acid [(1R,2S)-2-(phenylmethylthio)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-benzylsulfanylcyclohexyl] 3-morpholin-4-ium-4-ylpropanoate Traditional Name: 3-morpholin-4-ium-4-ylpropionic acid [(1R,2S)-2-(benzylthio)cyclohexyl] ester Formula: C20H30NO3S+ MolecularWeight: 364.5221

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)OC(=O)CC[NH+]2CCOCC2)SCC3=CC=CC=C3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)OC(=O)CC[NH+]2CCOCC2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H29NO3S/c22-20(10-11-21-12-14-23-15-13-21)24-18-8-4-5-9-19(18)25-16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2/p+1/t18-,19+/m1/s1