2-(4-chloranylphenoxy)-1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C21H26ClN2O5+ MolecularWeight: 421.89454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O5/c1-27-18-11-15(12-19(28-2)21(18)26)13-23-7-9-24(10-8-23)20(25)14-29-17-5-3-16(22)4-6-17/h3-6,11-12,26H,7-10,13-14H2,1-2H3/p+1