dimethyl-[3-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: 3-[2-[(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[4-oxo-2-[[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[4-oxo-2-[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium Traditional Name: 3-[2-[[(1R)-2-(allylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S/c1-5-11-20-17(24)14(2)26-19-21-16-10-7-6-9-15(16)18(25)23(19)13-8-12-22(3)4/h5-7,9-10,14H,1,8,11-13H2,2-4H3,(H,20,24)/p+1/t14-/m1/s1