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

Systemtic Name: 1-[4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H20BrN2O2+ MolecularWeight: 364.2569

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

InChI

InChI=1S/C17H19BrN2O2/c1-12(21)20-8-6-19(7-9-20)11-16-15-4-3-14(18)10-13(15)2-5-17(16)22/h2-5,10,22H,6-9,11H2,1H3/p+1