[3-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[(3S)-3-benzyloxypiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]-2-imidazo[1,2-a]pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[(3S)-3-benzoxypiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidino-methanone Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(N3C=CC=CC3=N2)C[NH+]4CCCC(C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(N3C=CC=CC3=N2)C[NH+]4CCC[C@@H](C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H30N4O2/c30-25(28-14-6-7-15-28)24-22(29-16-5-4-12-23(29)26-24)18-27-13-8-11-21(17-27)31-19-20-9-2-1-3-10-20/h1-5,9-10,12,16,21H,6-8,11,13-15,17-19H2/p+1/t21-/m0/s1