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

Systemtic Name: 3-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-[[4-(4-chlorophenyl)-1-piperazin-1-iumyl]methyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine Formula: C18H20ClN4+ MolecularWeight: 327.8312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)/p+1