N,N-diethyl-3-(3-oxidanyl-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-1-yl)benzenesulfonamide bromide

Systemtic Name: N,N-diethyl-3-(3-oxidanyl-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-1-yl)benzenesulfonamide bromide Openeye Name: N,N-diethyl-3-(3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-1-yl)benzenesulfonamide bromide CAS Name: N,N-diethyl-3-(3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-1-yl)benzenesulfonamide bromide IUPAC Name: N,N-diethyl-3-(3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-1-yl)benzenesulfonamide bromide Traditional Name: N,N-diethyl-3-(3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-1-yl)benzenesulfonamide bromide Formula: C24H32BrN3O3S MolecularWeight: 522.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N2CC([N+]3=C2CCCCC3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N2CC([N+]3=C2CCCCC3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C24H32N3O3S.BrH/c1-3-25(4-2)31(29,30)22-15-11-14-21(18-22)26-19-24(28,20-12-7-5-8-13-20)27-17-10-6-9-16-23(26)27;/h5,7-8,11-15,18,28H,3-4,6,9-10,16-17,19H2,1-2H3;1H/q+1;/p-1