3-[(4-bromanyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-bromanyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-bromo-3-morpholinosulfonyl-benzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-bromo-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-bromo-3-morpholinosulfonyl-benzoyl)amino]propyl-dimethyl-ammonium Formula: C16H25BrN3O4S+ MolecularWeight: 435.3564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H24BrN3O4S/c1-19(2)7-3-6-18-16(21)13-4-5-14(17)15(12-13)25(22,23)20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)/p+1