(3-bromophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-bromophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-bromophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (3-bromophenyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-bromophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-bromophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H17BrN2O/c1-2-15-6-8-16(9-7-15)13(17)11-4-3-5-12(14)10-11/h3-5,10H,2,6-9H2,1H3/p+1