[(1S)-2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-1-thiophen-3-yl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-1-thiophen-3-yl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-1-(3-thienyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-1-(3-thiophenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-1-thiophen-3-ylethyl]-diethylazanium Traditional Name: [(1S)-2-(2,4-diketo-1H-quinazolin-3-yl)-1-(3-thienyl)ethyl]-diethyl-ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CN1C(=O)C2=CC=CC=C2NC1=O)C3=CSC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CN1C(=O)C2=CC=CC=C2NC1=O)C3=CSC=C3

InChI

InChI=1S/C18H21N3O2S/c1-3-20(4-2)16(13-9-10-24-12-13)11-21-17(22)14-7-5-6-8-15(14)19-18(21)23/h5-10,12,16H,3-4,11H2,1-2H3,(H,19,23)/p+1/t16-/m1/s1