(2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-enyl-propanamide

Systemtic Name: (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]propionamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-3-9-22-19(26)16(2)29-21-23-18-8-5-4-7-17(18)20(27)25(21)11-6-10-24-12-14-28-15-13-24/h3-5,7-8,16H,1,6,9-15H2,2H3,(H,22,26)/p+1/t16-/m1/s1