N-(3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-yl)hexane-1-sulfonamide; 4-methylbenzenesulfonate

Systemtic Name: N-(3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-yl)hexane-1-sulfonamide; 4-methylbenzenesulfonate Openeye Name: N-(3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-yl)hexane-1-sulfonamide; 4-methylbenzenesulfonate CAS Name: N-(3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-yl)-1-hexanesulfonamide; 4-methylbenzenesulfonate IUPAC Name: N-(3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-yl)hexane-1-sulfonamide; 4-methylbenzenesulfonate Traditional Name: N-(3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-yl)hexane-1-sulfonamide tosylate Formula: C23H32N2O6S2 MolecularWeight: 496.63998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)NC1=CC2=C(C=C1)OC(=[N+]2CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCS(=O)(=O)NC1=CC2=C(C=C1)OC(=[N+]2CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H25N2O3S.C7H8O3S/c1-4-6-7-8-11-22(19,20)17-14-9-10-16-15(12-14)18(5-2)13(3)21-16;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,12,17H,4-8,11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1