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

Systemtic Name: 2-(chloromethyl)-4-(2,6-diethylphenyl)-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-(chloromethyl)-4-(2,6-diethylphenyl)-3-oxido-quinazolin-3-ium CAS Name: 2-(chloromethyl)-4-(2,6-diethylphenyl)-3-oxidoquinazolin-3-ium IUPAC Name: 2-(chloromethyl)-4-(2,6-diethylphenyl)-3-oxidoquinazolin-3-ium Traditional Name: 2-(chloromethyl)-4-(2,6-diethylphenyl)-3-oxido-quinazolin-3-ium Formula: C19H19ClN2O MolecularWeight: 326.81996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C2=[N+](C(=NC3=CC=CC=C32)CCl)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C2=[N+](C(=NC3=CC=CC=C32)CCl)[O-]

InChI

InChI=1S/C19H19ClN2O/c1-3-13-8-7-9-14(4-2)18(13)19-15-10-5-6-11-16(15)21-17(12-20)22(19)23/h5-11H,3-4,12H2,1-2H3