4-methylbenzenesulfonate; N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)prop-2-enamide

Systemtic Name: 4-methylbenzenesulfonate; N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)prop-2-enamide Openeye Name: 4-methylbenzenesulfonate; N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)prop-2-enamide CAS Name: 4-methylbenzenesulfonate; N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)-2-propenamide IUPAC Name: 4-methylbenzenesulfonate; N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)prop-2-enamide Traditional Name: N-(2-methyl-1,3-benzoxazol-3-ium-5-yl)acrylamide tosylate Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[NH+]C2=C(O1)C=CC(=C2)NC(=O)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[NH+]C2=C(O1)C=CC(=C2)NC(=O)C=C

InChI

InChI=1S/C11H10N2O2.C7H8O3S/c1-3-11(14)13-8-4-5-10-9(6-8)12-7(2)15-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1H2,2H3,(H,13,14);2-5H,1H3,(H,8,9,10)