2-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(2-methoxy-5-nitro-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C12H19N4O3S+ MolecularWeight: 299.36926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C12H18N4O3S/c1-15(2)7-6-13-12(20)14-10-8-9(16(17)18)4-5-11(10)19-3/h4-5,8H,6-7H2,1-3H3,(H2,13,14,20)/p+1