1-[4-[4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H24BrN2O2+ MolecularWeight: 440.35286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3C=CC(=C4)Br)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3C=CC(=C4)Br)O

InChI

InChI=1S/C23H23BrN2O2/c1-16(27)17-2-6-20(7-3-17)26-12-10-25(11-13-26)15-22-21-8-5-19(24)14-18(21)4-9-23(22)28/h2-9,14,28H,10-13,15H2,1H3/p+1