1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C19H22BrN2O2+ MolecularWeight: 390.29418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O2/c20-17-8-6-16(7-9-17)14-21-10-12-22(13-11-21)19(23)15-24-18-4-2-1-3-5-18/h1-9H,10-15H2/p+1