cyclohexyl-methyl-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-phenylazanyl-methylidene]azanium

Systemtic Name: cyclohexyl-methyl-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-phenylazanyl-methylidene]azanium Openeye Name: [anilino-[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]sulfanyl-methylene]-cyclohexyl-methyl-ammonium CAS Name: [anilino-[[(2S)-1-hydroxy-1-oxopropan-2-yl]thio]methylidene]-cyclohexyl-methylammonium IUPAC Name: [anilino-[(2S)-1-hydroxy-1-oxopropan-2-yl]sulfanylmethylidene]-cyclohexyl-methylazanium Traditional Name: [anilino-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]thio]methylene]-cyclohexyl-methyl-ammonium Formula: C17H25N2O2S+ MolecularWeight: 321.4576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC(=[N+](C)C1CCCCC1)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)SC(=[N+](C)C1CCCCC1)NC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O2S/c1-13(16(20)21)22-17(18-14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3,(H,20,21)/p+1/t13-/m0/s1