[3-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-quinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [3-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-quinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [3-[[4-(1-adamantyl)thiazol-2-yl]methyl]-4-oxo-quinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [3-[[4-(1-adamantyl)-2-thiazolyl]methyl]-4-oxo-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [3-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-4-oxoquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [3-[[4-(1-adamantyl)thiazol-2-yl]methyl]-4-keto-quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C25H31N4OS+ MolecularWeight: 435.60484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=O)N1CC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=O)N1CC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30N4OS/c1-28(2)13-22-26-20-6-4-3-5-19(20)24(30)29(22)14-23-27-21(15-31-23)25-10-16-7-17(11-25)9-18(8-16)12-25/h3-6,15-18H,7-14H2,1-2H3/p+1