[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: [(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C21H22N7+ MolecularWeight: 372.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C21H21N7/c1-2-10-22-20(9-1)28-19-8-3-7-18(17(19)15-26-28)25-14-16-6-4-13-27(16)21-23-11-5-12-24-21/h1-2,4-6,9-13,15,18,25H,3,7-8,14H2/p+1/t18-/m0/s1