N,N-dimethyl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-dimethyl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N,N-dimethyl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N,N-dimethyl-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N,N-dimethyl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]-N,N-dimethyl-acetamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

Isomeric SMILES

CN(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

InChI

InChI=1S/C19H26N4O3S/c1-21(2)17(24)14-27-19-20-16-7-4-3-6-15(16)18(25)23(19)9-5-8-22-10-12-26-13-11-22/h3-4,6-7H,5,8-14H2,1-2H3/p+1