3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one chloride Openeye Name: 3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one chloride CAS Name: 3-(1-azepan-1-iumyl)-1-(4-bromophenyl)-1-propanone chloride IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one chloride Traditional Name: 3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one chloride Formula: C15H21BrClNO MolecularWeight: 346.69034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)C2=CC=C(C=C2)Br.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)C2=CC=C(C=C2)Br.[Cl-]

InChI

InChI=1S/C15H20BrNO.ClH/c16-14-7-5-13(6-8-14)15(18)9-12-17-10-3-1-2-4-11-17;/h5-8H,1-4,9-12H2;1H