(2S,3S)-N,N-diethyl-4-methyl-2-methylsulfanyl-1-oxidanidyl-3-phenyl-3H-azet-1-ium-2-carboxamide

Systemtic Name: (2S,3S)-N,N-diethyl-4-methyl-2-methylsulfanyl-1-oxidanidyl-3-phenyl-3H-azet-1-ium-2-carboxamide Openeye Name: (2S,3S)-N,N-diethyl-4-methyl-2-methylsulfanyl-1-oxido-3-phenyl-3H-azet-1-ium-2-carboxamide CAS Name: (2S,3S)-N,N-diethyl-4-methyl-2-(methylthio)-1-oxido-3-phenyl-3H-azet-1-ium-2-carboxamide IUPAC Name: (2S,3S)-N,N-diethyl-4-methyl-2-methylsulfanyl-1-oxido-3-phenyl-3H-azet-1-ium-2-carboxamide Traditional Name: (2S,3S)-N,N-diethyl-4-methyl-2-(methylthio)-1-oxido-3-phenyl-3H-azet-1-ium-2-carboxamide Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1(C(C(=[N+]1[O-])C)C2=CC=CC=C2)SC

Isomeric SMILES

CCN(CC)C(=O)[C@]1([C@H](C(=[N+]1[O-])C)C2=CC=CC=C2)SC

InChI

InChI=1S/C16H22N2O2S/c1-5-17(6-2)15(19)16(21-4)14(12(3)18(16)20)13-10-8-7-9-11-13/h7-11,14H,5-6H2,1-4H3/t14-,16+/m1/s1