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

Systemtic Name: methyl 4-oxidanylidene-2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(3-oxopiperazin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(3-oxo-1-piperazin-1-iumyl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(3-oxopiperazin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(3-ketopiperazin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C15H17N4O4+ MolecularWeight: 317.31988

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[NH+]3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H16N4O4/c1-23-15(22)9-2-3-10-11(6-9)17-12(18-14(10)21)7-19-5-4-16-13(20)8-19/h2-3,6H,4-5,7-8H2,1H3,(H,16,20)(H,17,18,21)/p+1