[(3S)-piperidin-1-ium-3-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Systemtic Name: [(3S)-piperidin-1-ium-3-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone Openeye Name: [(3S)-piperidin-1-ium-3-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone CAS Name: [(3S)-3-piperidin-1-iumyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone IUPAC Name: [(3S)-piperidin-1-ium-3-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone Traditional Name: [(3S)-piperidin-1-ium-3-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone Formula: C13H16N3O+ MolecularWeight: 230.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)C2=CNC3=C2C=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)C2=CNC3=C2C=CC=N3

InChI

InChI=1S/C13H15N3O/c17-12(9-3-1-5-14-7-9)11-8-16-13-10(11)4-2-6-15-13/h2,4,6,8-9,14H,1,3,5,7H2,(H,15,16)/p+1/t9-/m0/s1