N,N-diethyl-3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-diethyl-3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-diethyl-3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-diethyl-3-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-diethyl-3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-diethyl-3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C17H26N3O4S2+ MolecularWeight: 400.53604

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCCC(C3)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C17H25N3O4S2/c1-3-19(4-2)26(22,23)14-7-8-16-15(10-14)20(17(25)24-16)12-18-9-5-6-13(21)11-18/h7-8,10,13,21H,3-6,9,11-12H2,1-2H3/p+1/t13-/m0/s1