3-thiomorpholin-4-ium-4-ylpropyl benzoate

Systemtic Name: 3-thiomorpholin-4-ium-4-ylpropyl benzoate Openeye Name: 3-thiomorpholin-4-ium-4-ylpropyl benzoate CAS Name: benzoic acid 3-(4-thiomorpholin-4-iumyl)propyl ester IUPAC Name: 3-thiomorpholin-4-ium-4-ylpropyl benzoate Traditional Name: benzoic acid 3-thiomorpholin-4-ium-4-ylpropyl ester Formula: C14H20NO2S+ MolecularWeight: 266.3791

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CSCC[NH+]1CCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO2S/c16-14(13-5-2-1-3-6-13)17-10-4-7-15-8-11-18-12-9-15/h1-3,5-6H,4,7-12H2/p+1