azepan-2-ylidene-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-(2,4-dimethoxyphenyl)azanium

Systemtic Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-(2,4-dimethoxyphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-oxo-ethyl]-(2,4-dimethoxyphenyl)ammonium CAS Name: 2-azepanylidene-[2-(4-bromophenyl)-2-oxoethyl]-(2,4-dimethoxyphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-oxoethyl]-(2,4-dimethoxyphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-keto-ethyl]-(2,4-dimethoxyphenyl)ammonium Formula: C22H26BrN2O3+ MolecularWeight: 446.35744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H25BrN2O3/c1-27-18-11-12-19(21(14-18)28-2)25(22-6-4-3-5-13-24-22)15-20(26)16-7-9-17(23)10-8-16/h7-12,14H,3-6,13,15H2,1-2H3/p+1