2-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)-4-nitro-phenolate

Systemtic Name: 2-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)-4-nitro-phenolate Openeye Name: 2-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)-4-nitro-phenolate CAS Name: 2-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)-4-nitrophenolate Traditional Name: 2-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)-4-nitro-phenolate Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H20N4O4S/c19-13-3-2-11(18(20)21)10-12(13)16-14(23)15-4-1-5-17-6-8-22-9-7-17/h2-3,10,19H,1,4-9H2,(H2,15,16,23)