N-[3-(azepan-1-ium-1-yl)propyl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C18H31N2O2S+ MolecularWeight: 339.51594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC[NH+]2CCCCCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC[NH+]2CCCCCC2)C

InChI

InChI=1S/C18H30N2O2S/c1-15-13-16(2)18(17(3)14-15)23(21,22)19-9-8-12-20-10-6-4-5-7-11-20/h13-14,19H,4-12H2,1-3H3/p+1