3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)C(CN2C3=CC=CC=C3)(C4=CC5=C(C=C4)OCCO5)O.[Br-]

Isomeric SMILES

C1CCC2=[N+](CC1)C(CN2C3=CC=CC=C3)(C4=CC5=C(C=C4)OCCO5)O.[Br-]

InChI

InChI=1S/C22H25N2O3.BrH/c25-22(17-10-11-19-20(15-17)27-14-13-26-19)16-23(18-7-3-1-4-8-18)21-9-5-2-6-12-24(21)22;/h1,3-4,7-8,10-11,15,25H,2,5-6,9,12-14,16H2;1H/q+1;/p-1