N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H21ClN3O4+ MolecularWeight: 390.84074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Cl)OCO3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Cl)OCO3)C4=CC=C(C=C4)O

InChI

InChI=1S/C19H20ClN3O4/c20-15-9-17-18(27-12-26-17)10-16(15)21-19(25)11-22-5-7-23(8-6-22)13-1-3-14(24)4-2-13/h1-4,9-10,24H,5-8,11-12H2,(H,21,25)/p+1