2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate

Systemtic Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate Openeye Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate CAS Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate IUPAC Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Traditional Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Formula: C18H17N3O2 MolecularWeight: 307.34648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C[N+]4=C(C=C3)NC(=C4)CC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C[N+]4=C(C=C3)NC(=C4)CC(=O)[O-]

InChI

InChI=1S/C18H17N3O2/c22-18(23)9-15-11-21-12-16(5-6-17(21)19-15)20-8-7-13-3-1-2-4-14(13)10-20/h1-6,11-12H,7-10H2,(H,22,23)