2-(3-bromanylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3-bromanylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-bromophenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-bromophenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-bromophenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-bromophenoxy)-1-(4-p-anisylpiperazin-4-ium-1-yl)ethanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3/c1-25-18-7-5-16(6-8-18)14-22-9-11-23(12-10-22)20(24)15-26-19-4-2-3-17(21)13-19/h2-8,13H,9-12,14-15H2,1H3/p+1