2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylphenyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium bromide Formula: C24H27BrN2O2 MolecularWeight: 455.38738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC5=C(C=C4)OCCO5.[Br-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC5=C(C=C4)OCCO5.[Br-]

InChI

InChI=1S/C24H27N2O2.BrH/c1-2-18-7-10-20(11-8-18)26-21(17-25-13-5-3-4-6-24(25)26)19-9-12-22-23(16-19)28-15-14-27-22;/h7-12,16-17H,2-6,13-15H2,1H3;1H/q+1;/p-1