2-(1-imidazol-1-ylethyl)-4-methyl-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 2-(1-imidazol-1-ylethyl)-4-methyl-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-(1-imidazol-1-ylethyl)-4-methyl-3-oxido-quinazolin-3-ium CAS Name: 2-[1-(1-imidazolyl)ethyl]-4-methyl-3-oxidoquinazolin-3-ium IUPAC Name: 2-(1-imidazol-1-ylethyl)-4-methyl-3-oxidoquinazolin-3-ium Traditional Name: 2-(1-imidazol-1-ylethyl)-4-methyl-3-oxido-quinazolin-3-ium Formula: C14H14N4O MolecularWeight: 254.28716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC=CC=C12)C(C)N3C=CN=C3)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC=CC=C12)C(C)N3C=CN=C3)[O-]

InChI

InChI=1S/C14H14N4O/c1-10-12-5-3-4-6-13(12)16-14(18(10)19)11(2)17-8-7-15-9-17/h3-9,11H,1-2H3