1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C21H24ClN2O4+ MolecularWeight: 403.87926

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H23ClN2O4/c22-17-9-15(20-16(10-17)12-27-13-28-20)11-24-7-5-14(6-8-24)21(26)23-18-3-1-2-4-19(18)25/h1-4,9-10,14,25H,5-8,11-13H2,(H,23,26)/p+1