1-(6,7-dimethoxyquinazolin-4-yl)-1-methyl-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-methyl-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-methyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-1-methyl-6-nitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-methyl-6-nitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-methyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C24H25N6O6+ MolecularWeight: 493.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCNCC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

C[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCNCC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C24H25N6O6/c1-30(22-16-11-20(35-2)21(36-3)12-18(16)26-13-27-22)19-5-4-15(29(33)34)10-17(19)23(31)28(24(30)32)14-6-8-25-9-7-14/h4-5,10-14,25H,6-9H2,1-3H3/q+1