2-[4-methyl-2-(4-propylphenyl)quinolin-1-ium-3-yl]ethanoate

Systemtic Name: 2-[4-methyl-2-(4-propylphenyl)quinolin-1-ium-3-yl]ethanoate Openeye Name: 2-[4-methyl-2-(4-propylphenyl)quinolin-1-ium-3-yl]acetate CAS Name: 2-[4-methyl-2-(4-propylphenyl)-3-quinolin-1-iumyl]acetate IUPAC Name: 2-[4-methyl-2-(4-propylphenyl)quinolin-1-ium-3-yl]acetate Traditional Name: 2-[4-methyl-2-(4-propylphenyl)quinolin-1-ium-3-yl]acetate Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=[NH+]C3=CC=CC=C3C(=C2CC(=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=[NH+]C3=CC=CC=C3C(=C2CC(=O)[O-])C

InChI

InChI=1S/C21H21NO2/c1-3-6-15-9-11-16(12-10-15)21-18(13-20(23)24)14(2)17-7-4-5-8-19(17)22-21/h4-5,7-12H,3,6,13H2,1-2H3,(H,23,24)