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

Systemtic Name: 1-methyl-2-phenyl-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol bromide Openeye Name: 1-methyl-2-phenyl-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol bromide CAS Name: 1-methyl-2-phenyl-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol bromide IUPAC Name: 1-methyl-2-phenyl-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol bromide Traditional Name: 1-methyl-2-phenyl-3,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-2-ol bromide Formula: C15H21BrN2O MolecularWeight: 325.24404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=[N+](CCCCC2)CC1(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

CN1C2=[N+](CCCCC2)CC1(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C15H21N2O.BrH/c1-16-14-10-6-3-7-11-17(14)12-15(16,18)13-8-4-2-5-9-13;/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3;1H/q+1;/p-1