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

Systemtic Name: 1-phenyl-3-thiophen-2-yl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Openeye Name: 1-phenyl-3-(2-thienyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide CAS Name: 1-phenyl-3-thiophen-2-yl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide IUPAC Name: 1-phenyl-3-thiophen-2-yl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Traditional Name: 1-phenyl-3-(2-thienyl)-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C18H21BrN2OS MolecularWeight: 393.34114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)C(CN2C3=CC=CC=C3)(C4=CC=CS4)O.[Br-]

Isomeric SMILES

C1CCC2=[N+](CC1)C(CN2C3=CC=CC=C3)(C4=CC=CS4)O.[Br-]

InChI

InChI=1S/C18H21N2OS.BrH/c21-18(16-10-7-13-22-16)14-19(15-8-3-1-4-9-15)17-11-5-2-6-12-20(17)18;/h1,3-4,7-10,13,21H,2,5-6,11-12,14H2;1H/q+1;/p-1