2-[4-(dimethylamino)-6-(pyridin-4-ylmethyl)quinolin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[4-(dimethylamino)-6-(pyridin-4-ylmethyl)quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[4-(dimethylamino)-6-(4-pyridylmethyl)quinolin-1-ium-2-yl]acetate CAS Name: 2-[4-(dimethylamino)-6-(pyridin-4-ylmethyl)-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[4-(dimethylamino)-6-(pyridin-4-ylmethyl)quinolin-1-ium-2-yl]acetate Traditional Name: 2-[4-(dimethylamino)-6-(4-pyridylmethyl)quinolin-1-ium-2-yl]acetate Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)CC3=CC=NC=C3)CC(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)CC3=CC=NC=C3)CC(=O)[O-]

InChI

InChI=1S/C19H19N3O2/c1-22(2)18-11-15(12-19(23)24)21-17-4-3-14(10-16(17)18)9-13-5-7-20-8-6-13/h3-8,10-11H,9,12H2,1-2H3,(H,23,24)