[4-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(cycloheptylamino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(cycloheptylamino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(cycloheptylamino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C20H29N4OS+ MolecularWeight: 373.53546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3CCCCCC3

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C20H28N4OS/c1-24(2)13-18-22-17-12-8-7-11-16(17)20(23-18)26-14-19(25)21-15-9-5-3-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3,(H,21,25)/p+1