3-[[(5R)-1-butyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(5R)-1-butyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[(5R)-1-butyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[(5R)-1-butyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[(5R)-1-butyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[(5R)-1-butyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C14H25N4O2S+ MolecularWeight: 313.4389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=S)C=NCCC[NH+](C)C

Isomeric SMILES

CCCCN1C(=O)[C@@H](C(=O)NC1=S)C=NCCC[NH+](C)C

InChI

InChI=1S/C14H24N4O2S/c1-4-5-9-18-13(20)11(12(19)16-14(18)21)10-15-7-6-8-17(2)3/h10-11H,4-9H2,1-3H3,(H,16,19,21)/p+1/t11-/m1/s1