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

Systemtic Name: N-[3-[(2R)-2-ethylpiperidin-1-ium-1-yl]propyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[3-[(2R)-2-ethylpiperidin-1-ium-1-yl]propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[3-[(2R)-2-ethyl-1-piperidin-1-iumyl]propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[3-[(2R)-2-ethylpiperidin-1-ium-1-yl]propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[3-[(2R)-2-ethylpiperidin-1-ium-1-yl]propyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S/c1-2-13-6-3-4-10-20(13)11-5-9-18-25(22,23)14-7-8-15-16(12-14)24-17(21)19-15/h7-8,12-13,18H,2-6,9-11H2,1H3,(H,19,21)/p+1/t13-/m1/s1