N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C22H30FN4O+ MolecularWeight: 385.498203

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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)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1(C[C@@H](C2=C(C1)N(N=C2)C3=CC(=CC=C3)F)NC(=O)C[NH+]4CCCCC4)C

InChI

InChI=1S/C22H29FN4O/c1-22(2)12-19(25-21(28)15-26-9-4-3-5-10-26)18-14-24-27(20(18)13-22)17-8-6-7-16(23)11-17/h6-8,11,14,19H,3-5,9-10,12-13,15H2,1-2H3,(H,25,28)/p+1/t19-/m0/s1