(3R)-1-methyl-3-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-methyl-3-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-methyl-3-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-methyl-3-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-methyl-3-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-quinone Formula: C18H22N5O3+ MolecularWeight: 356.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CN1C(=O)C[C@H](C1=O)[NH+]2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H21N5O3/c1-21-16(24)10-14(18(21)26)23-8-6-22(7-9-23)11-15-19-13-5-3-2-4-12(13)17(25)20-15/h2-5,14H,6-11H2,1H3,(H,19,20,25)/p+1/t14-/m1/s1