methyl 2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(3-vinylbenzimidazol-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate CAS Name: 2-[(3-ethenyl-1-benzimidazol-1-iumyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(3-vinylbenzimidazol-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H17N4O3+ MolecularWeight: 361.37398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CN(C4=CC=CC=C43)C=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CN(C4=CC=CC=C43)C=C

InChI

InChI=1S/C20H16N4O3/c1-3-23-12-24(17-7-5-4-6-16(17)23)11-18-21-15-10-13(20(26)27-2)8-9-14(15)19(25)22-18/h3-10,12H,1,11H2,2H3/p+1