N-[3-[(2R)-2-ethylpiperidin-1-ium-1-yl]propyl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[3-[(2R)-2-ethylpiperidin-1-ium-1-yl]propyl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[3-[(2R)-2-ethylpiperidin-1-ium-1-yl]propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: N-[3-[(2R)-2-ethyl-1-piperidin-1-iumyl]propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[3-[(2R)-2-ethylpiperidin-1-ium-1-yl]propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[3-[(2R)-2-ethylpiperidin-1-ium-1-yl]propyl]-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CCCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

InChI

InChI=1S/C18H27N3O4S/c1-3-14-7-4-5-11-21(14)12-6-10-19-26(23,24)15-8-9-16-17(13-15)25-18(22)20(16)2/h8-9,13-14,19H,3-7,10-12H2,1-2H3/p+1/t14-/m1/s1