6-[5-(4-methoxyoxan-4-yl)-1,3-benzodioxol-2-yl]-1-methyl-quinolin-1-ium iodide

Systemtic Name: 6-[5-(4-methoxyoxan-4-yl)-1,3-benzodioxol-2-yl]-1-methyl-quinolin-1-ium iodide Openeye Name: 6-[5-(4-methoxytetrahydropyran-4-yl)-1,3-benzodioxol-2-yl]-1-methyl-quinolin-1-ium iodide CAS Name: 6-[5-(4-methoxy-4-oxanyl)-1,3-benzodioxol-2-yl]-1-methylquinolin-1-ium iodide IUPAC Name: 6-[5-(4-methoxyoxan-4-yl)-1,3-benzodioxol-2-yl]-1-methylquinolin-1-ium iodide Traditional Name: 6-[5-(4-methoxytetrahydropyran-4-yl)-1,3-benzodioxol-2-yl]-1-methyl-quinolin-1-ium iodide Formula: C23H24INO4 MolecularWeight: 505.34543

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=CC(=C2)C3OC4=C(O3)C=C(C=C4)C5(CCOCC5)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=CC(=C2)C3OC4=C(O3)C=C(C=C4)C5(CCOCC5)OC.[I-]

InChI

InChI=1S/C23H24NO4.HI/c1-24-11-3-4-16-14-17(5-7-19(16)24)22-27-20-8-6-18(15-21(20)28-22)23(25-2)9-12-26-13-10-23;/h3-8,11,14-15,22H,9-10,12-13H2,1-2H3;1H/q+1;/p-1