2-(3-methoxycarbonylphenyl)ethylazanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(3-methoxycarbonylphenyl)ethylazanium; 4-methylbenzenesulfonate Openeye Name: 2-(3-methoxycarbonylphenyl)ethylammonium; 4-methylbenzenesulfonate CAS Name: 2-(3-methoxycarbonylphenyl)ethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(3-methoxycarbonylphenyl)ethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(3-carbomethoxyphenyl)ethylammonium tosylate Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC(=O)C1=CC(=CC=C1)CC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC(=O)C1=CC(=CC=C1)CC[NH3+]

InChI

InChI=1S/C10H13NO2.C7H8O3S/c1-13-10(12)9-4-2-3-8(7-9)5-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,7H,5-6,11H2,1H3;2-5H,1H3,(H,8,9,10)