3-phenyl-5-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium

Systemtic Name: 3-phenyl-5-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Openeye Name: 3-phenyl-5-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium CAS Name: 3-phenyl-5-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium IUPAC Name: 3-phenyl-5-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Traditional Name: 3-phenyl-5-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Formula: C22H22N5+ MolecularWeight: 356.44358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1NN=C2C3=CC=CC=C3)CC4=CC=CN4C5=CN=CC=C5

Isomeric SMILES

C1C[NH+](CC2=C1NN=C2C3=CC=CC=C3)CC4=CC=CN4C5=CN=CC=C5

InChI

InChI=1S/C22H21N5/c1-2-6-17(7-3-1)22-20-16-26(13-10-21(20)24-25-22)15-19-9-5-12-27(19)18-8-4-11-23-14-18/h1-9,11-12,14H,10,13,15-16H2,(H,24,25)/p+1