2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(6-bromanylquinazolin-4-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(6-bromanylquinazolin-4-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-bromoquinazolin-4-yl)-[(3S)-1,1-dioxothiolan-3-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-bromo-4-quinazolinyl)-[(3S)-1,1-dioxo-3-thiolanyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-bromoquinazolin-4-yl)-[(3S)-1,1-dioxothiolan-3-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-bromoquinazolin-4-yl)-[(3S)-1,1-diketothiolan-3-yl]amino]ethyl-dimethyl-ammonium Formula: C16H22BrN4O2S+ MolecularWeight: 414.34048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN4O2S/c1-20(2)6-7-21(13-5-8-24(22,23)10-13)16-14-9-12(17)3-4-15(14)18-11-19-16/h3-4,9,11,13H,5-8,10H2,1-2H3/p+1/t13-/m0/s1