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

Systemtic Name: 3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Openeye Name: 3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide CAS Name: 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide IUPAC Name: 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C21H24BrFN2O2 MolecularWeight: 435.329863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2(CN(C3=[N+]2CCCCC3)C4=CC=CC=C4)O)F.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2(CN(C3=[N+]2CCCCC3)C4=CC=CC=C4)O)F.[Br-]

InChI

InChI=1S/C21H24FN2O2.BrH/c1-26-17-11-12-18(19(22)14-17)21(25)15-23(16-8-4-2-5-9-16)20-10-6-3-7-13-24(20)21;/h2,4-5,8-9,11-12,14,25H,3,6-7,10,13,15H2,1H3;1H/q+1;/p-1