2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(2-cyclopropyl-4-quinazolinyl)thio]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(2-cyclopropylquinazolin-4-yl)thio]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C24H33N4O2S+ MolecularWeight: 441.60942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4)[NH+]5CCOCC5

InChI

InChI=1S/C24H32N4O2S/c29-21(25-17-24(10-4-1-5-11-24)28-12-14-30-15-13-28)16-31-23-19-6-2-3-7-20(19)26-22(27-23)18-8-9-18/h2-3,6-7,18H,1,4-5,8-17H2,(H,25,29)/p+1