3-cyano-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide

Systemtic Name: 3-cyano-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Openeye Name: 3-cyano-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide CAS Name: 3-cyano-N-[2-(4-morpholin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-cyano-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Traditional Name: 3-cyano-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1COCC[NH+]1CCNS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H17N3O3S/c14-11-12-2-1-3-13(10-12)20(17,18)15-4-5-16-6-8-19-9-7-16/h1-3,10,15H,4-9H2/p+1