2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-quinolin-1-ium-3-yl]ethanoate

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-quinolin-1-ium-3-yl]ethanoate Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-quinolin-1-ium-3-yl]acetate CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-quinolin-1-iumyl]acetate IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-1-ium-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-quinolin-1-ium-3-yl]acetate Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C2=CC=CC=C12)C3=CC4=C(C=C3)OCCO4)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=[NH+]C2=CC=CC=C12)C3=CC4=C(C=C3)OCCO4)CC(=O)[O-]

InChI

InChI=1S/C20H17NO4/c1-12-14-4-2-3-5-16(14)21-20(15(12)11-19(22)23)13-6-7-17-18(10-13)25-9-8-24-17/h2-7,10H,8-9,11H2,1H3,(H,22,23)