4-iodanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 4-iodanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 4-iodo-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 4-iodo-N-[3-(1-piperidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 4-iodo-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 4-iodo-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C14H22IN2O2S+ MolecularWeight: 409.30615

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H21IN2O2S/c15-13-5-7-14(8-6-13)20(18,19)16-9-4-12-17-10-2-1-3-11-17/h5-8,16H,1-4,9-12H2/p+1