3-(1-methyl-4-oxidanylidene-piperidin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(1-methyl-4-oxidanylidene-piperidin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(1-methyl-4-oxo-piperidin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(1-methyl-4-oxo-1-piperidin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(1-methyl-4-oxopiperidin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4-keto-1-methyl-piperidin-1-ium-1-yl)propane-1-sulfonate Formula: C9H17NO4S MolecularWeight: 235.30058

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=O)CC1)CCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCC(=O)CC1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C9H17NO4S/c1-10(5-2-8-15(12,13)14)6-3-9(11)4-7-10/h2-8H2,1H3