1-(4-ethoxyphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide

Systemtic Name: 1-(4-ethoxyphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Openeye Name: 1-(4-ethoxyphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide CAS Name: 1-(4-ethoxyphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide IUPAC Name: 1-(4-ethoxyphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Traditional Name: 3-phenyl-1-p-phenetyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium bromide Formula: C22H25BrN2O MolecularWeight: 413.3507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H25N2O.BrH/c1-2-25-20-14-12-19(13-15-20)24-17-21(18-9-5-3-6-10-18)23-16-8-4-7-11-22(23)24;/h3,5-6,9-10,12-15,17H,2,4,7-8,11,16H2,1H3;1H/q+1;/p-1