4-iodanyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide

Systemtic Name: 4-iodanyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Openeye Name: 4-iodo-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide CAS Name: 4-iodo-N-(1-methyl-4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 4-iodo-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Traditional Name: 4-iodo-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Formula: C12H18IN2O2S+ MolecularWeight: 381.25299

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C12H17IN2O2S/c1-15-8-6-11(7-9-15)14-18(16,17)12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3/p+1