3-(3,5-dimethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)propanoate

Systemtic Name: 3-(3,5-dimethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)propanoate Openeye Name: 3-(3,5-dimethyl-4-thioxo-1,3,5-triazinan-1-ium-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)propanoate IUPAC Name: 3-(3,5-dimethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)propanoate Traditional Name: 3-(3,5-dimethyl-4-thioxo-1,3,5-triazinan-1-ium-1-yl)propionate Formula: C8H15N3O2S MolecularWeight: 217.2886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C[NH+](CN(C1=S)C)CCC(=O)[O-]

Isomeric SMILES

CN1C[NH+](CN(C1=S)C)CCC(=O)[O-]

InChI

InChI=1S/C8H15N3O2S/c1-9-5-11(4-3-7(12)13)6-10(2)8(9)14/h3-6H2,1-2H3,(H,12,13)