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

Systemtic Name: 3-(4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)propanoate Openeye Name: 3-(4-thioxo-1,3,5-triazinan-1-ium-1-yl)propanoate CAS Name: 3-(4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)propanoate IUPAC Name: 3-(4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)propanoate Traditional Name: 3-(4-thioxo-1,3,5-triazinan-1-ium-1-yl)propionate Formula: C6H11N3O2S MolecularWeight: 189.23544

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)NC[NH+]1CCC(=O)[O-]

Isomeric SMILES

C1NC(=S)NC[NH+]1CCC(=O)[O-]

InChI

InChI=1S/C6H11N3O2S/c10-5(11)1-2-9-3-7-6(12)8-4-9/h1-4H2,(H,10,11)(H2,7,8,12)