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

Systemtic Name: 3-(azepan-1-yl)-1-(2-bromanyl-4,5-dimethoxy-phenyl)propan-1-one hydrochloride Openeye Name: 3-(azepan-1-yl)-1-(2-bromo-4,5-dimethoxy-phenyl)propan-1-one hydrochloride CAS Name: 3-(1-azepanyl)-1-(2-bromo-4,5-dimethoxyphenyl)-1-propanone hydrochloride IUPAC Name: 3-(azepan-1-yl)-1-(2-bromo-4,5-dimethoxyphenyl)propan-1-one hydrochloride Traditional Name: 3-(azepan-1-yl)-1-(2-bromo-4,5-dimethoxy-phenyl)propan-1-one hydrochloride Formula: C17H25BrClNO3 MolecularWeight: 406.7423

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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