S-quinazolin-4-yl 2-morpholin-4-ium-4-ylethanethioate

Systemtic Name: S-quinazolin-4-yl 2-morpholin-4-ium-4-ylethanethioate Openeye Name: S-quinazolin-4-yl 2-morpholin-4-ium-4-ylethanethioate CAS Name: 2-(4-morpholin-4-iumyl)ethanethioic acid S-(4-quinazolinyl) ester IUPAC Name: S-quinazolin-4-yl 2-morpholin-4-ium-4-ylethanethioate Traditional Name: 2-morpholin-4-ium-4-ylethanethioic acid S-quinazolin-4-yl ester Formula: C14H16N3O2S+ MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

C1COCC[NH+]1CC(=O)SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C14H15N3O2S/c18-13(9-17-5-7-19-8-6-17)20-14-11-3-1-2-4-12(11)15-10-16-14/h1-4,10H,5-9H2/p+1