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

Systemtic Name: 2-[5-(4-methoxyoxan-4-yl)-1,3-benzodioxol-2-yl]-1-methyl-quinolin-1-ium Openeye Name: 2-[5-(4-methoxytetrahydropyran-4-yl)-1,3-benzodioxol-2-yl]-1-methyl-quinolin-1-ium CAS Name: 2-[5-(4-methoxy-4-oxanyl)-1,3-benzodioxol-2-yl]-1-methylquinolin-1-ium IUPAC Name: 2-[5-(4-methoxyoxan-4-yl)-1,3-benzodioxol-2-yl]-1-methylquinolin-1-ium Traditional Name: 2-[5-(4-methoxytetrahydropyran-4-yl)-1,3-benzodioxol-2-yl]-1-methyl-quinolin-1-ium Formula: C23H24NO4+ MolecularWeight: 378.44096

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C3OC4=C(O3)C=C(C=C4)C5(CCOCC5)OC

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)C3OC4=C(O3)C=C(C=C4)C5(CCOCC5)OC

InChI

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