1-(4-bromophenyl)-2-(4-ethylphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol

Systemtic Name: 1-(4-bromophenyl)-2-(4-ethylphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol Openeye Name: 1-(4-bromophenyl)-2-(4-ethylphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol CAS Name: 1-(4-bromophenyl)-2-(4-ethylphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol IUPAC Name: 1-(4-bromophenyl)-2-(4-ethylphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol Traditional Name: 1-(4-bromophenyl)-2-(4-ethylphenyl)-3,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-2-ol Formula: C22H26BrN2O+ MolecularWeight: 414.35864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2(C[N+]3=C(N2C4=CC=C(C=C4)Br)CCCCC3)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2(C[N+]3=C(N2C4=CC=C(C=C4)Br)CCCCC3)O

InChI

InChI=1S/C22H26BrN2O/c1-2-17-7-9-18(10-8-17)22(26)16-24-15-5-3-4-6-21(24)25(22)20-13-11-19(23)12-14-20/h7-14,26H,2-6,15-16H2,1H3/q+1