2-(4-bromanylphenoxy)-1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C22H28BrN2O4+ MolecularWeight: 464.37272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H27BrN2O4/c1-3-28-21-14-17(4-9-20(21)27-2)15-24-10-12-25(13-11-24)22(26)16-29-19-7-5-18(23)6-8-19/h4-9,14H,3,10-13,15-16H2,1-2H3/p+1