N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25ClN3O4+ MolecularWeight: 406.8832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)Cl)OC

InChI

InChI=1S/C20H24ClN3O4/c1-27-18-12-19(28-2)17(11-16(18)21)22-20(26)13-23-7-9-24(10-8-23)14-3-5-15(25)6-4-14/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,22,26)/p+1