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

Systemtic Name: (6-chloranyl-2H-chromen-3-yl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (6-chloro-2H-chromen-3-yl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (6-chloro-2H-1-benzopyran-3-yl)methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (6-chloro-2H-chromen-3-yl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (6-chloro-2H-chromen-3-yl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C22H22ClN4O+ MolecularWeight: 393.88928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC5=C(C=CC(=C5)Cl)OC4

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC5=C(C=CC(=C5)Cl)OC4

InChI

InChI=1S/C22H21ClN4O/c23-17-7-8-21-16(11-17)10-15(14-28-21)12-25-19-4-3-5-20-18(19)13-26-27(20)22-6-1-2-9-24-22/h1-2,6-11,13,19,25H,3-5,12,14H2/p+1/t19-/m0/s1