2-(2-chloranylphenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2-chloranylphenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-chlorophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-chlorophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-chlorophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C21H26ClN2O4+ MolecularWeight: 405.89514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O4/c1-26-17-7-8-19(27-2)16(13-17)14-23-9-11-24(12-10-23)21(25)15-28-20-6-4-3-5-18(20)22/h3-8,13H,9-12,14-15H2,1-2H3/p+1