(2R)-2-(3-bromanyl-4,5-dimethoxy-phenyl)azepan-1-ium

Systemtic Name: (2R)-2-(3-bromanyl-4,5-dimethoxy-phenyl)azepan-1-ium Openeye Name: (2R)-2-(3-bromo-4,5-dimethoxy-phenyl)azepan-1-ium CAS Name: (2R)-2-(3-bromo-4,5-dimethoxyphenyl)azepan-1-ium IUPAC Name: (2R)-2-(3-bromo-4,5-dimethoxyphenyl)azepan-1-ium Traditional Name: (2R)-2-(3-bromo-4,5-dimethoxy-phenyl)azepan-1-ium Formula: C14H21BrNO2+ MolecularWeight: 315.22604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CCCCC[NH2+]2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@H]2CCCCC[NH2+]2)Br)OC

InChI

InChI=1S/C14H20BrNO2/c1-17-13-9-10(8-11(15)14(13)18-2)12-6-4-3-5-7-16-12/h8-9,12,16H,3-7H2,1-2H3/p+1/t12-/m1/s1