methyl 4-oxidanylidene-2-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[4-(phenylmethyl)-1-pyridin-1-iumyl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H20N3O3+ MolecularWeight: 386.4232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3/c1-29-23(28)18-7-8-19-20(14-18)24-21(25-22(19)27)15-26-11-9-17(10-12-26)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3/p+1