N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazole-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxazole-4-carboxamide CAS Name: N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-oxazolecarboxamide IUPAC Name: N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazole-4-carboxamide Traditional Name: N-[(1S)-1-methylol-3-(methylthio)propyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxazole-4-carboxamide Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1=COC(=N1)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CSCC[C@@H](CO)NC(=O)C1=COC(=N1)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H25N3O3S/c1-26-9-7-16(12-23)20-19(24)17-13-25-18(21-17)11-22-8-6-14-4-2-3-5-15(14)10-22/h2-5,13,16,23H,6-12H2,1H3,(H,20,24)/p+1/t16-/m0/s1