4-azanyl-2,5-bis(chloranyl)-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride

Systemtic Name: 4-azanyl-2,5-bis(chloranyl)-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Openeye Name: 4-amino-2,5-dichloro-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride CAS Name: 4-amino-2,5-dichloro-N-[1-(1-pyridin-1-iumyl)ethyl]benzenesulfonamide chloride IUPAC Name: 4-amino-2,5-dichloro-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Traditional Name: 4-amino-2,5-dichloro-N-(1-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Formula: C13H14Cl3N3O2S MolecularWeight: 382.69316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Cl2N3O2S.ClH/c1-9(18-5-3-2-4-6-18)17-21(19,20)13-8-10(14)12(16)7-11(13)15;/h2-9,17H,16H2,1H3;1H/q+1;/p-1