4-azanyl-2-chloranyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide

Systemtic Name: 4-azanyl-2-chloranyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Openeye Name: 4-amino-2-chloro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide CAS Name: 4-amino-2-chloro-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 4-amino-2-chloro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Traditional Name: 4-amino-2-chloro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Formula: C13H21ClN3O2S+ MolecularWeight: 318.84274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=C(C=C(C=C2)N)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C13H20ClN3O2S/c1-16-7-5-11(6-8-16)17(2)20(18,19)13-4-3-10(15)9-12(13)14/h3-4,9,11H,5-8,15H2,1-2H3/p+1