(3-chloranyl-4-oxidanyl-phenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium

Systemtic Name: (3-chloranyl-4-oxidanyl-phenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (3-chloro-4-hydroxy-phenyl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (3-chloro-4-hydroxyphenyl)methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (3-chloro-4-hydroxyphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (3-chloro-4-hydroxy-benzyl)-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C19H20ClN4O+ MolecularWeight: 355.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C19H19ClN4O/c20-15-10-13(7-8-18(15)25)11-22-16-4-3-5-17-14(16)12-23-24(17)19-6-1-2-9-21-19/h1-2,6-10,12,16,22,25H,3-5,11H2/p+1/t16-/m0/s1