[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[(2-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[(2-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[(2-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[(2-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[(2-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-(2-fluoro-4-methoxy-benzyl)ammonium Formula: C23H27FN3O+ MolecularWeight: 380.478383

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)[NH2+]CC4=C(C=C(C=C4)OC)F)C

Isomeric SMILES

CC1(C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=C3)[NH2+]CC4=C(C=C(C=C4)OC)F)C

InChI

InChI=1S/C23H26FN3O/c1-23(2)12-21(25-14-16-9-10-18(28-3)11-20(16)24)19-15-26-27(22(19)13-23)17-7-5-4-6-8-17/h4-11,15,21,25H,12-14H2,1-3H3/p+1/t21-/m0/s1