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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-1-methyl-quinolin-1-ium Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-1-methyl-quinolin-1-ium CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-1-methylquinolin-1-ium IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-1-methylquinolin-1-ium Traditional Name: 2-homopiperonyl-4-methoxy-1-methyl-quinolin-1-ium Formula: C20H20NO3+ MolecularWeight: 322.3777

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C2=CC=CC=C21)OC)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[N+]1=C(C=C(C2=CC=CC=C21)OC)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20NO3/c1-21-15(12-19(22-2)16-5-3-4-6-17(16)21)9-7-14-8-10-18-20(11-14)24-13-23-18/h3-6,8,10-12H,7,9,13H2,1-2H3/q+1