1-morpholin-4-ium-4-yl-3-phenylmethoxy-propane-2-thiolate

Systemtic Name: 1-morpholin-4-ium-4-yl-3-phenylmethoxy-propane-2-thiolate Openeye Name: 1-benzyloxy-3-morpholin-4-ium-4-yl-propane-2-thiolate CAS Name: 1-(4-morpholin-4-iumyl)-3-phenylmethoxy-2-propanethiolate IUPAC Name: 1-morpholin-4-ium-4-yl-3-phenylmethoxypropane-2-thiolate Traditional Name: 1-benzoxy-3-morpholin-4-ium-4-yl-propane-2-thiolate Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(COCC2=CC=CC=C2)[S-]

Isomeric SMILES

C1COCC[NH+]1CC(COCC2=CC=CC=C2)[S-]

InChI

InChI=1S/C14H21NO2S/c18-14(10-15-6-8-16-9-7-15)12-17-11-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2