dimethylazanium; 2-(phenylcarbonyl)cyclohexane-1-sulfonate

Systemtic Name: dimethylazanium; 2-(phenylcarbonyl)cyclohexane-1-sulfonate Openeye Name: 2-benzoylcyclohexanesulfonate; dimethylammonium CAS Name: 2-benzoyl-1-cyclohexanesulfonate; dimethylammonium IUPAC Name: 2-benzoylcyclohexane-1-sulfonate; dimethylazanium Traditional Name: 2-benzoylcyclohexanesulfonate; dimethylammonium Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C.C1CCC(C(C1)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

C[NH2+]C.C1CCC(C(C1)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H16O4S.C2H7N/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18(15,16)17;1-3-2/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16,17);3H,1-2H3