(4-cyclohexylsulfanylquinazolin-2-yl)methyl-dimethyl-azanium

Systemtic Name: (4-cyclohexylsulfanylquinazolin-2-yl)methyl-dimethyl-azanium Openeye Name: (4-cyclohexylsulfanylquinazolin-2-yl)methyl-dimethyl-ammonium CAS Name: [4-(cyclohexylthio)-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: (4-cyclohexylsulfanylquinazolin-2-yl)methyl-dimethylazanium Traditional Name: [4-(cyclohexylthio)quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C17H24N3S+ MolecularWeight: 302.45756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SC3CCCCC3

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SC3CCCCC3

InChI

InChI=1S/C17H23N3S/c1-20(2)12-16-18-15-11-7-6-10-14(15)17(19-16)21-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3/p+1