3-azanyl-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride

Systemtic Name: 3-azanyl-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Openeye Name: 3-amino-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride CAS Name: 3-amino-N-[1-(1-pyridin-1-iumyl)ethyl]benzenesulfonamide chloride IUPAC Name: 3-amino-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Traditional Name: 3-amino-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Formula: C13H16ClN3O2S MolecularWeight: 313.80304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=CC=CC(=C1)N)[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(NS(=O)(=O)C1=CC=CC(=C1)N)[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H16N3O2S.ClH/c1-11(16-8-3-2-4-9-16)15-19(17,18)13-7-5-6-12(14)10-13;/h2-11,15H,14H2,1H3;1H/q+1;/p-1