3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propyl-dimethyl-ammonium Formula: C18H29ClN3O3S+ MolecularWeight: 402.95916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H28ClN3O3S/c1-21(2)11-7-10-20-18(23)15-8-9-16(19)17(14-15)26(24,25)22-12-5-3-4-6-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)/p+1