methyl (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: (2R)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]propionic acid methyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

InChI

InChI=1S/C19H25N3O4S/c1-14(18(24)25-2)27-19-20-16-7-4-3-6-15(16)17(23)22(19)9-5-8-21-10-12-26-13-11-21/h3-4,6-7,14H,5,8-13H2,1-2H3/p+1/t14-/m1/s1