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

Systemtic Name: 4-azanyl-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Openeye Name: 4-amino-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride CAS Name: 4-amino-N-[1-(1-pyridin-1-iumyl)ethyl]benzenesulfonamide chloride IUPAC Name: 4-amino-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Traditional Name: 4-amino-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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