3-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2-methoxy-5-nitro-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H21N4O3S+ MolecularWeight: 313.39584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3S/c1-16(2)8-4-7-14-13(21)15-11-9-10(17(18)19)5-6-12(11)20-3/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15,21)/p+1