2-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-quinolin-1-ium-3-yl]ethanoate

Systemtic Name: 2-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-quinolin-1-ium-3-yl]ethanoate Openeye Name: 2-(2-indan-5-yl-4-methyl-quinolin-1-ium-3-yl)acetate CAS Name: 2-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-3-quinolin-1-iumyl]acetate IUPAC Name: 2-[2-(2,3-dihydro-1H-inden-5-yl)-4-methylquinolin-1-ium-3-yl]acetate Traditional Name: 2-(2-indan-5-yl-4-methyl-quinolin-1-ium-3-yl)acetate Formula: C21H19NO2 MolecularWeight: 317.38106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C2=CC=CC=C12)C3=CC4=C(CCC4)C=C3)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=[NH+]C2=CC=CC=C12)C3=CC4=C(CCC4)C=C3)CC(=O)[O-]

InChI

InChI=1S/C21H19NO2/c1-13-17-7-2-3-8-19(17)22-21(18(13)12-20(23)24)16-10-9-14-5-4-6-15(14)11-16/h2-3,7-11H,4-6,12H2,1H3,(H,23,24)