2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(7-methoxyquinazolin-4-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(7-methoxyquinazolin-4-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-(7-methoxyquinazolin-4-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]-(7-methoxy-4-quinazolinyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-(7-methoxyquinazolin-4-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]-(7-methoxyquinazolin-4-yl)amino]ethyl-dimethyl-ammonium Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1CCS(=O)(=O)C1)C2=NC=NC3=C2C=CC(=C3)OC

Isomeric SMILES

C[NH+](C)CCN([C@H]1CCS(=O)(=O)C1)C2=NC=NC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H24N4O3S/c1-20(2)7-8-21(13-6-9-25(22,23)11-13)17-15-5-4-14(24-3)10-16(15)18-12-19-17/h4-5,10,12-13H,6-9,11H2,1-3H3/p+1/t13-/m0/s1