N1-[2-(azepan-1-ium-1-yl)ethyl]-N4,N4-dimethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[2-(azepan-1-ium-1-yl)ethyl]-N4,N4-dimethyl-benzene-1,4-disulfonamide Openeye Name: N1-[2-(azepan-1-ium-1-yl)ethyl]-N4,N4-dimethyl-benzene-1,4-disulfonamide CAS Name: N1-[2-(1-azepan-1-iumyl)ethyl]-N4,N4-dimethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[2-(azepan-1-ium-1-yl)ethyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-N',N'-dimethyl-benzene-1,4-disulfonamide Formula: C16H28N3O4S2+ MolecularWeight: 390.54122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCCCCC2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCCCCC2

InChI

InChI=1S/C16H27N3O4S2/c1-18(2)25(22,23)16-9-7-15(8-10-16)24(20,21)17-11-14-19-12-5-3-4-6-13-19/h7-10,17H,3-6,11-14H2,1-2H3/p+1