ethyl 4-(5-propyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate

Systemtic Name: ethyl 4-(5-propyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Openeye Name: ethyl 4-(5-propyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoate CAS Name: 4-(5-propyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-propyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Traditional Name: 4-(5-propyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CNC(=S)N(C1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC[NH+]1CNC(=S)N(C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C15H21N3O2S/c1-3-9-17-10-16-15(21)18(11-17)13-7-5-12(6-8-13)14(19)20-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,21)/p+1