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

Systemtic Name: 2-[4-(3-bromophenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(3-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C17H23BrN3O2+ MolecularWeight: 381.28742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H22BrN3O2/c18-15-5-3-4-14(12-15)17(23)21-10-8-19(9-11-21)13-16(22)20-6-1-2-7-20/h3-5,12H,1-2,6-11,13H2/p+1