1-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone

Systemtic Name: 1-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 1-[4-(3-bromobenzyl)piperazin-4-ium-1-yl]-2-(2-naphthoxy)ethanone Formula: C23H24BrN2O2+ MolecularWeight: 440.35286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C(=O)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H23BrN2O2/c24-21-7-3-4-18(14-21)16-25-10-12-26(13-11-25)23(27)17-28-22-9-8-19-5-1-2-6-20(19)15-22/h1-9,14-15H,10-13,16-17H2/p+1