(Z)-3-(dimethylamino)-2-methyl-pent-2-enoate; 4-methylbenzenesulfonate

Systemtic Name: (Z)-3-(dimethylamino)-2-methyl-pent-2-enoate; 4-methylbenzenesulfonate Openeye Name: (Z)-3-(dimethylamino)-2-methyl-pent-2-enoate; 4-methylbenzenesulfonate CAS Name: (Z)-3-(dimethylamino)-2-methyl-2-pentenoate; 4-methylbenzenesulfonate IUPAC Name: (Z)-3-(dimethylamino)-2-methylpent-2-enoate; 4-methylbenzenesulfonate Traditional Name: (Z)-3-(dimethylamino)-2-methyl-pent-2-enoate tosylate Formula: C15H21NO5S-2 MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C)C(=O)[O-])N(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC/C(=C(\C)/C(=O)[O-])/N(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H15NO2.C7H8O3S/c1-5-7(9(3)4)6(2)8(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h5H2,1-4H3,(H,10,11);2-5H,1H3,(H,8,9,10)/p-2/b7-6-;