N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)N(N=C2)C3=CC(=CC=C3)F)NC(=O)C4=CC=[N+](C=C4)[O-])C

Isomeric SMILES

CC1(C[C@@H](C2=C(C1)N(N=C2)C3=CC(=CC=C3)F)NC(=O)C4=CC=[N+](C=C4)[O-])C

InChI

InChI=1S/C21H21FN4O2/c1-21(2)11-18(24-20(27)14-6-8-25(28)9-7-14)17-13-23-26(19(17)12-21)16-5-3-4-15(22)10-16/h3-10,13,18H,11-12H2,1-2H3,(H,24,27)/t18-/m0/s1