methyl 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H21N4O3+ MolecularWeight: 329.37364

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+]34CCN(CC3)CC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]34CCN(CC3)CC4

InChI

InChI=1S/C17H20N4O3/c1-24-17(23)12-2-3-13-14(10-12)18-15(19-16(13)22)11-21-7-4-20(5-8-21)6-9-21/h2-3,10H,4-9,11H2,1H3/p+1