methane; (3E)-3-(methoxymethylidene)azepan-1-ium-2-sulfonate

Systemtic Name: methane; (3E)-3-(methoxymethylidene)azepan-1-ium-2-sulfonate Openeye Name: methane; (3E)-3-(methoxymethylene)azepan-1-ium-2-sulfonate CAS Name: methane; (3E)-3-(methoxymethylidene)-2-azepan-1-iumsulfonate IUPAC Name: methane; (3E)-3-(methoxymethylidene)azepan-1-ium-2-sulfonate Traditional Name: methane; (3E)-3-(methoxymethylene)azepan-1-ium-2-sulfonate Formula: C9H19NO4S MolecularWeight: 237.31646

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Descriptors Computed from Structure

Canonical SMILES:

C.COC=C1CCCC[NH2+]C1S(=O)(=O)[O-]

Isomeric SMILES

C.CO/C=C/1\CCCC[NH2+]C1S(=O)(=O)[O-]

InChI

InChI=1S/C8H15NO4S.CH4/c1-13-6-7-4-2-3-5-9-8(7)14(10,11)12;/h6,8-9H,2-5H2,1H3,(H,10,11,12);1H4/b7-6+;