2-[6-[ethyl-(phenylmethyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate

Systemtic Name: 2-[6-[ethyl-(phenylmethyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate Openeye Name: 2-[6-[benzyl(ethyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate CAS Name: 2-[6-[ethyl-(phenylmethyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate IUPAC Name: 2-[6-[benzyl(ethyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Traditional Name: 2-[6-[benzyl(ethyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Formula: C18H19N3O2 MolecularWeight: 309.36236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=C[N+]3=C(C=C2)NC(=C3)CC(=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=C[N+]3=C(C=C2)NC(=C3)CC(=O)[O-]

InChI

InChI=1S/C18H19N3O2/c1-2-20(11-14-6-4-3-5-7-14)16-8-9-17-19-15(10-18(22)23)12-21(17)13-16/h3-9,12-13H,2,10-11H2,1H3,(H,22,23)