6-cyano-1,1-dimethyl-azepan-1-ium-4-sulfonic acid

Systemtic Name: 6-cyano-1,1-dimethyl-azepan-1-ium-4-sulfonic acid Openeye Name: 6-cyano-1,1-dimethyl-azepan-1-ium-4-sulfonic acid CAS Name: 6-cyano-1,1-dimethyl-4-azepan-1-iumsulfonic acid IUPAC Name: 6-cyano-1,1-dimethylazepan-1-ium-4-sulfonic acid Traditional Name: 6-cyano-1,1-dimethyl-azepan-1-ium-4-sulfonic acid Formula: C9H17N2O3S+ MolecularWeight: 233.30788

Click to see the large picture

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/p+1