2-[4-(3-bromophenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(3-bromophenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(3-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C17H23BrN3O3+ MolecularWeight: 397.28682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H22BrN3O3/c18-15-3-1-2-14(12-15)17(23)21-6-4-19(5-7-21)13-16(22)20-8-10-24-11-9-20/h1-3,12H,4-11,13H2/p+1