2-[4-(dimethylamino)benzo[h]quinolin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[4-(dimethylamino)benzo[h]quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[4-(dimethylamino)benzo[h]quinolin-1-ium-2-yl]acetate CAS Name: 2-[4-(dimethylamino)-2-benzo[h]quinolin-1-iumyl]acetate IUPAC Name: 2-[4-(dimethylamino)benzo[h]quinolin-1-ium-2-yl]acetate Traditional Name: 2-[4-(dimethylamino)benzo[h]quinolin-1-ium-2-yl]acetate Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=[NH+]C2=C1C=CC3=CC=CC=C32)CC(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=[NH+]C2=C1C=CC3=CC=CC=C32)CC(=O)[O-]

InChI

InChI=1S/C17H16N2O2/c1-19(2)15-9-12(10-16(20)21)18-17-13-6-4-3-5-11(13)7-8-14(15)17/h3-9H,10H2,1-2H3,(H,20,21)