[2-[(4aR)-9-(5-chloranyl-2-methoxy-phenyl)-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-(5-chloranyl-2-methoxy-phenyl)-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-(5-chloro-2-methoxy-phenyl)-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-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxy-phenyl)-5,11-diketo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-keto-ethyl]-dimethyl-ammonium Formula: C23H26ClN4O4+ MolecularWeight: 457.92994

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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=C(C=CC(=C4)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O4/c1-26(2)13-21(29)27-8-9-28-19(12-27)22(30)25-18-6-4-14(10-17(18)23(28)31)16-11-15(24)5-7-20(16)32-3/h4-7,10-11,19H,8-9,12-13H2,1-3H3,(H,25,30)/p+1/t19-/m1/s1