4-iodanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: 4-iodanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-iodo-benzenesulfonamide CAS Name: 4-iodo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-iodobenzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-iodo-benzenesulfonamide Formula: C18H22IN2O2S+ MolecularWeight: 457.34895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3

InChI

InChI=1S/C18H21IN2O2S/c19-16-6-8-18(9-7-16)24(22,23)20-17-10-12-21(13-11-17)14-15-4-2-1-3-5-15/h1-9,17,20H,10-14H2/p+1