3-(azepan-1-yl)-1-(2-bromanyl-4,5-dimethoxy-phenyl)propan-1-one chloride

Systemtic Name: 3-(azepan-1-yl)-1-(2-bromanyl-4,5-dimethoxy-phenyl)propan-1-one chloride Openeye Name: 3-(azepan-1-yl)-1-(2-bromo-4,5-dimethoxy-phenyl)propan-1-one chloride CAS Name: 3-(1-azepanyl)-1-(2-bromo-4,5-dimethoxyphenyl)-1-propanone chloride IUPAC Name: 3-(azepan-1-yl)-1-(2-bromo-4,5-dimethoxyphenyl)propan-1-one chloride Traditional Name: 3-(azepan-1-yl)-1-(2-bromo-4,5-dimethoxy-phenyl)propan-1-one chloride Formula: C17H24BrClNO3- MolecularWeight: 405.73436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)CCN2CCCCCC2)Br)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)CCN2CCCCCC2)Br)OC.[Cl-]

InChI

InChI=1S/C17H24BrNO3.ClH/c1-21-16-11-13(14(18)12-17(16)22-2)15(20)7-10-19-8-5-3-4-6-9-19;/h11-12H,3-10H2,1-2H3;1H/p-1