isoquinolin-5-ylmethyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: 5-isoquinolylmethyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: 5-isoquinolinylmethyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: isoquinolin-5-ylmethyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: 5-isoquinolylmethyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C22H22N5+ MolecularWeight: 356.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C22H21N5/c1-2-11-24-22(9-1)27-21-8-4-7-20(19(21)15-26-27)25-14-17-6-3-5-16-13-23-12-10-18(16)17/h1-3,5-6,9-13,15,20,25H,4,7-8,14H2/p+1/t20-/m0/s1