2-[[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(1,3-dioxobenzo[de]isoquinolin-2-yl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(1,3-dioxo-2-benzo[de]isoquinolinyl)amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(1,3-dioxobenzo[de]isoquinolin-2-yl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(1,3-diketobenzo[de]isoquinolin-2-yl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

Isomeric SMILES

C[NH+](C)CCNC(=S)NN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C17H18N4O2S/c1-20(2)10-9-18-17(24)19-21-15(22)12-7-3-5-11-6-4-8-13(14(11)12)16(21)23/h3-8H,9-10H2,1-2H3,(H2,18,19,24)/p+1