[(4S)-1-ethyl-3-(4-methylphenyl)sulfanyl-4-oxidanyl-pyrrolidin-1-ium-1-yl]carbamic acid

Systemtic Name: [(4S)-1-ethyl-3-(4-methylphenyl)sulfanyl-4-oxidanyl-pyrrolidin-1-ium-1-yl]carbamic acid Openeye Name: [(3S)-1-ethyl-3-hydroxy-4-(p-tolylsulfanyl)pyrrolidin-1-ium-1-yl]carbamic acid CAS Name: [(3S)-1-ethyl-3-hydroxy-4-[(4-methylphenyl)thio]-1-pyrrolidin-1-iumyl]carbamic acid IUPAC Name: [(3S)-1-ethyl-3-hydroxy-4-(4-methylphenyl)sulfanylpyrrolidin-1-ium-1-yl]carbamic acid Traditional Name: [(3S)-1-ethyl-3-hydroxy-4-(p-tolylthio)pyrrolidin-1-ium-1-yl]carbamic acid Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC(C(C1)SC2=CC=C(C=C2)C)O)NC(=O)O

Isomeric SMILES

CC[N+]1(C[C@@H](C(C1)SC2=CC=C(C=C2)C)O)NC(=O)O

InChI

InChI=1S/C14H20N2O3S/c1-3-16(15-14(18)19)8-12(17)13(9-16)20-11-6-4-10(2)5-7-11/h4-7,12-13,15,17H,3,8-9H2,1-2H3/p+1/t12-,13?,16?/m0/s1