[(1S,2S)-2-[(4-tert-butylphenyl)methylsulfanyl]cyclohexyl] 3-morpholin-4-ium-4-ylpropanoate

Systemtic Name: [(1S,2S)-2-[(4-tert-butylphenyl)methylsulfanyl]cyclohexyl] 3-morpholin-4-ium-4-ylpropanoate Openeye Name: [(1S,2S)-2-[(4-tert-butylphenyl)methylsulfanyl]cyclohexyl] 3-morpholin-4-ium-4-ylpropanoate CAS Name: 3-(4-morpholin-4-iumyl)propanoic acid [(1S,2S)-2-[(4-tert-butylphenyl)methylthio]cyclohexyl] ester IUPAC Name: [(1S,2S)-2-[(4-tert-butylphenyl)methylsulfanyl]cyclohexyl] 3-morpholin-4-ium-4-ylpropanoate Traditional Name: 3-morpholin-4-ium-4-ylpropionic acid [(1S,2S)-2-[(4-tert-butylbenzyl)thio]cyclohexyl] ester Formula: C24H38NO3S+ MolecularWeight: 420.62842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2CCCCC2OC(=O)CC[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS[C@H]2CCCC[C@@H]2OC(=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C24H37NO3S/c1-24(2,3)20-10-8-19(9-11-20)18-29-22-7-5-4-6-21(22)28-23(26)12-13-25-14-16-27-17-15-25/h8-11,21-22H,4-7,12-18H2,1-3H3/p+1/t21-,22-/m0/s1