methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]azanium

Systemtic Name: methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]azanium Openeye Name: methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]ammonium CAS Name: methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]ammonium IUPAC Name: methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-[2-keto-2-[2-(2-thienyl)ethylamino]ethyl]-methyl-ammonium Formula: C18H21N4O2S+ MolecularWeight: 357.44994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCCC3=CC=CS3

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C18H20N4O2S/c1-22(12-17(23)19-9-8-13-5-4-10-25-13)11-16-20-15-7-3-2-6-14(15)18(24)21-16/h2-7,10H,8-9,11-12H2,1H3,(H,19,23)(H,20,21,24)/p+1