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

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-chloranylphenoxy)ethanone Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-chlorophenoxy)ethanone IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone Formula: C20H23BrClN2O3+ MolecularWeight: 454.76522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrClN2O3/c1-26-19-7-2-16(21)12-15(19)13-23-8-10-24(11-9-23)20(25)14-27-18-5-3-17(22)4-6-18/h2-7,12H,8-11,13-14H2,1H3/p+1