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

Systemtic Name: 4-(4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)butanoate Openeye Name: 4-(4-thioxo-1,3,5-triazinan-1-ium-1-yl)butanoate CAS Name: 4-(4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)butanoate IUPAC Name: 4-(4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)butanoate Traditional Name: 4-(4-thioxo-1,3,5-triazinan-1-ium-1-yl)butyrate Formula: C7H13N3O2S MolecularWeight: 203.26202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13N3O2S/c11-6(12)2-1-3-10-4-8-7(13)9-5-10/h1-5H2,(H,11,12)(H2,8,9,13)