3-[[3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-bromo-5-(4-methylpiperidino)sulfonyl-benzoyl]amino]propyl-dimethyl-ammonium Formula: C18H29BrN3O3S+ MolecularWeight: 447.41016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)NCCC[NH+](C)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)NCCC[NH+](C)C)Br

InChI

InChI=1S/C18H28BrN3O3S/c1-14-5-9-22(10-6-14)26(24,25)17-12-15(11-16(19)13-17)18(23)20-7-4-8-21(2)3/h11-14H,4-10H2,1-3H3,(H,20,23)/p+1