3-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 3-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-[[4-(1-oxidopyridin-1-ium-2-yl)-1-piperidyl]methyl]-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-[[4-(1-oxido-2-pyridin-1-iumyl)-1-piperidinyl]methyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-[[4-(1-oxidopyridin-1-ium-2-yl)piperidino]methyl]-1H-pyrrolo[2,3-b]pyridine Formula: C18H20N4O MolecularWeight: 308.3776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=[N+]2[O-])CC3=CNC4=C3C=CC=N4

Isomeric SMILES

C1CN(CCC1C2=CC=CC=[N+]2[O-])CC3=CNC4=C3C=CC=N4

InChI

InChI=1S/C18H20N4O/c23-22-9-2-1-5-17(22)14-6-10-21(11-7-14)13-15-12-20-18-16(15)4-3-8-19-18/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,19,20)