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

Systemtic Name: 3-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-[[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-[[4-(1-oxido-2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-[[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-[[4-(1-oxidopyridin-1-ium-2-yl)piperazino]methyl]-1H-pyrrolo[2,3-b]pyridine Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C17H19N5O/c23-22-7-2-1-5-16(22)21-10-8-20(9-11-21)13-14-12-19-17-15(14)4-3-6-18-17/h1-7,12H,8-11,13H2,(H,18,19)