2-(4-bromanylphenoxy)-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethanone Formula: C21H26BrN2O2+ MolecularWeight: 418.34734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O2/c22-19-8-10-20(11-9-19)26-17-21(25)24-15-13-23(14-16-24)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2/p+1