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

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one Openeye Name: 3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one CAS Name: 3-(1-azepan-1-iumyl)-1-(4-bromophenyl)-1-propanone IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one Traditional Name: 3-(azepan-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one Formula: C15H21BrNO+ MolecularWeight: 311.23734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO/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/p+1