3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C24H29BrN2O3 MolecularWeight: 473.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC([N+]3=C2CCCCC3)(C4=CC5=C(C=C4)OCCO5)O)C.[Br-]

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC([N+]3=C2CCCCC3)(C4=CC5=C(C=C4)OCCO5)O)C.[Br-]

InChI

InChI=1S/C24H29N2O3.BrH/c1-17-7-6-8-20(18(17)2)25-16-24(27,26-12-5-3-4-9-23(25)26)19-10-11-21-22(15-19)29-14-13-28-21;/h6-8,10-11,15,27H,3-5,9,12-14,16H2,1-2H3;1H/q+1;/p-1