N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H23ClN3O4+ MolecularWeight: 404.86732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Cl)OCCO3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Cl)OCCO3)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H22ClN3O4/c21-16-11-18-19(28-10-9-27-18)12-17(16)22-20(26)13-23-5-7-24(8-6-23)14-1-3-15(25)4-2-14/h1-4,11-12,25H,5-10,13H2,(H,22,26)/p+1