2-(chloromethyl)-3-oxidanidyl-4-propan-2-yl-quinazolin-3-ium

Systemtic Name: 2-(chloromethyl)-3-oxidanidyl-4-propan-2-yl-quinazolin-3-ium Openeye Name: 2-(chloromethyl)-4-isopropyl-3-oxido-quinazolin-3-ium CAS Name: 2-(chloromethyl)-3-oxido-4-propan-2-ylquinazolin-3-ium IUPAC Name: 2-(chloromethyl)-3-oxido-4-propan-2-ylquinazolin-3-ium Traditional Name: 2-(chloromethyl)-4-isopropyl-3-oxido-quinazolin-3-ium Formula: C12H13ClN2O MolecularWeight: 236.69742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C(=NC2=CC=CC=C21)CCl)[O-]

Isomeric SMILES

CC(C)C1=[N+](C(=NC2=CC=CC=C21)CCl)[O-]

InChI

InChI=1S/C12H13ClN2O/c1-8(2)12-9-5-3-4-6-10(9)14-11(7-13)15(12)16/h3-6,8H,7H2,1-2H3