ethyl 1-ethyl-2-methyl-3-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[(4-oxo-1H-quinazolin-2-yl)methyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[(4-oxo-1H-quinazolin-2-yl)methyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[(4-oxo-1H-quinazolin-2-yl)methyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(4-keto-1H-quinazolin-2-yl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C22H23N4O3+ MolecularWeight: 391.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C22H22N4O3/c1-4-25-14(3)26(19-12-15(10-11-18(19)25)22(28)29-5-2)13-20-23-17-9-7-6-8-16(17)21(27)24-20/h6-12H,4-5,13H2,1-3H3/p+1