1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-2-propyl-quinazolin-3-ium-4-one

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-2-propyl-quinazolin-3-ium-4-one Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-3-methyl-2-propyl-quinazolin-3-ium-4-one CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-3-methyl-2-propyl-4-quinazolin-3-iumone IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-3-methyl-2-propylquinazolin-3-ium-4-one Traditional Name: 1-(2-keto-3,3-dimethyl-butyl)-3-methyl-2-propyl-quinazolin-3-ium-4-one Formula: C18H25N2O2+ MolecularWeight: 301.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C(=O)C2=CC=CC=C2N1CC(=O)C(C)(C)C)C

Isomeric SMILES

CCCC1=[N+](C(=O)C2=CC=CC=C2N1CC(=O)C(C)(C)C)C

InChI

InChI=1S/C18H25N2O2/c1-6-9-16-19(5)17(22)13-10-7-8-11-14(13)20(16)12-15(21)18(2,3)4/h7-8,10-11H,6,9,12H2,1-5H3/q+1