2-(chloromethyl)-4,6,7-trimethyl-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 2-(chloromethyl)-4,6,7-trimethyl-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-(chloromethyl)-4,6,7-trimethyl-3-oxido-quinazolin-3-ium CAS Name: 2-(chloromethyl)-4,6,7-trimethyl-3-oxidoquinazolin-3-ium IUPAC Name: 2-(chloromethyl)-4,6,7-trimethyl-3-oxidoquinazolin-3-ium Traditional Name: 2-(chloromethyl)-4,6,7-trimethyl-3-oxido-quinazolin-3-ium Formula: C12H13ClN2O MolecularWeight: 236.69742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=[N+](C(=N2)CCl)[O-])C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=[N+](C(=N2)CCl)[O-])C)C

InChI

InChI=1S/C12H13ClN2O/c1-7-4-10-9(3)15(16)12(6-13)14-11(10)5-8(7)2/h4-5H,6H2,1-3H3