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

Systemtic Name: 3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C19H30N3O3S2+ MolecularWeight: 412.5898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S2/c1-5-21(6-2)27(23,24)16-7-8-18-17(10-16)22(19(26)25-18)13-20-11-14(3)9-15(4)12-20/h7-8,10,14-15H,5-6,9,11-13H2,1-4H3/p+1/t14-,15-/m1/s1