[2-[(azepan-1-ylsulfonylamino)methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[(azepan-1-ylsulfonylamino)methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[(azepan-1-ylsulfonylamino)methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[(1-azepanylsulfonylamino)methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[(azepan-1-ylsulfonylamino)methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[(azepan-1-ylsulfonylamino)methyl]benzyl]-dimethyl-ammonium Formula: C16H28N3O2S+ MolecularWeight: 326.47742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNS(=O)(=O)N2CCCCCC2

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNS(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H27N3O2S/c1-18(2)14-16-10-6-5-9-15(16)13-17-22(20,21)19-11-7-3-4-8-12-19/h5-6,9-10,17H,3-4,7-8,11-14H2,1-2H3/p+1