4-[3-(6-chloranyl-4,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]-1-methyl-piperidin-1-ium-4-ol

Systemtic Name: 4-[3-(6-chloranyl-4,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]-1-methyl-piperidin-1-ium-4-ol Openeye Name: 4-[3-(6-chloro-4,7-dimethoxy-1,3-benzodioxol-5-yl)isoxazol-5-yl]-1-methyl-piperidin-1-ium-4-ol CAS Name: 4-[3-(6-chloro-4,7-dimethoxy-1,3-benzodioxol-5-yl)-5-isoxazolyl]-1-methyl-4-piperidin-1-iumol IUPAC Name: 4-[3-(6-chloro-4,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]-1-methylpiperidin-1-ium-4-ol Traditional Name: 4-[3-(6-chloro-4,7-dimethoxy-1,3-benzodioxol-5-yl)isoxazol-5-yl]-1-methyl-piperidin-1-ium-4-ol Formula: C18H22ClN2O6+ MolecularWeight: 397.83008

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C2=CC(=NO2)C3=C(C4=C(C(=C3Cl)OC)OCO4)OC)O

Isomeric SMILES

C[NH+]1CCC(CC1)(C2=CC(=NO2)C3=C(C4=C(C(=C3Cl)OC)OCO4)OC)O

InChI

InChI=1S/C18H21ClN2O6/c1-21-6-4-18(22,5-7-21)11-8-10(20-27-11)12-13(19)15(24-3)17-16(14(12)23-2)25-9-26-17/h8,22H,4-7,9H2,1-3H3/p+1