[2-[(4aR)-9-(2-fluorophenyl)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: [2-[(4aR)-9-(2-fluorophenyl)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-[(4aR)-9-(2-fluorophenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-[(4aR)-9-(2-fluorophenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxoethyl]-dimethylammonium IUPAC Name: [2-[(4aR)-9-(2-fluorophenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[(4aR)-9-(2-fluorophenyl)-5,11-diketo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-keto-ethyl]-dimethyl-ammonium Formula: C22H24FN4O3+ MolecularWeight: 411.449363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)N1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F

Isomeric SMILES

C[NH+](C)CC(=O)N1CCN2[C@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F

InChI

InChI=1S/C22H23FN4O3/c1-25(2)13-20(28)26-9-10-27-19(12-26)21(29)24-18-8-7-14(11-16(18)22(27)30)15-5-3-4-6-17(15)23/h3-8,11,19H,9-10,12-13H2,1-2H3,(H,24,29)/p+1/t19-/m1/s1