3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C23H27BrN2O4 MolecularWeight: 475.37548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC([N+]3=C2CCCCC3)(C4=CC5=C(C=C4)OCCO5)O.[Br-]

Isomeric SMILES

COC1=CC=CC=C1N2CC([N+]3=C2CCCCC3)(C4=CC5=C(C=C4)OCCO5)O.[Br-]

InChI

InChI=1S/C23H27N2O4.BrH/c1-27-19-8-5-4-7-18(19)24-16-23(26,25-12-6-2-3-9-22(24)25)17-10-11-20-21(15-17)29-14-13-28-20;/h4-5,7-8,10-11,15,26H,2-3,6,9,12-14,16H2,1H3;1H/q+1;/p-1