6-cyano-1,1-dimethyl-azepan-1-ium-4-sulfonate

Systemtic Name: 6-cyano-1,1-dimethyl-azepan-1-ium-4-sulfonate Openeye Name: 6-cyano-1,1-dimethyl-azepan-1-ium-4-sulfonate CAS Name: 6-cyano-1,1-dimethyl-4-azepan-1-iumsulfonate IUPAC Name: 6-cyano-1,1-dimethylazepan-1-ium-4-sulfonate Traditional Name: 6-cyano-1,1-dimethyl-azepan-1-ium-4-sulfonate Formula: C9H16N2O3S MolecularWeight: 232.29994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC(C1)C#N)S(=O)(=O)[O-])C

Isomeric SMILES

C[N+]1(CCC(CC(C1)C#N)S(=O)(=O)[O-])C

InChI

InChI=1S/C9H16N2O3S/c1-11(2)4-3-9(15(12,13)14)5-8(6-10)7-11/h8-9H,3-5,7H2,1-2H3