1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(2-naphthoxy)ethanone Formula: C24H26BrN2O3+ MolecularWeight: 470.37884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H25BrN2O3/c1-29-23-9-7-21(25)14-20(23)16-26-10-12-27(13-11-26)24(28)17-30-22-8-6-18-4-2-3-5-19(18)15-22/h2-9,14-15H,10-13,16-17H2,1H3/p+1