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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-nitro-1-[(4-nitrophenyl)methyl]-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-nitro-1-[(4-nitrophenyl)methyl]-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-6-nitro-1-[(4-nitrophenyl)methyl]-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-nitro-1-[(4-nitrophenyl)methyl]-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-nitro-1-(4-nitrobenzyl)-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C30H28N7O8+ MolecularWeight: 614.58542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)[N+]3(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N(C3=O)C5CCNCC5)CC6=CC=C(C=C6)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)[N+]3(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N(C3=O)C5CCNCC5)CC6=CC=C(C=C6)[N+](=O)[O-])OC

InChI

InChI=1S/C30H28N7O8/c1-44-26-14-22-24(15-27(26)45-2)32-17-33-28(22)37(16-18-3-5-20(6-4-18)35(40)41)25-8-7-21(36(42)43)13-23(25)29(38)34(30(37)39)19-9-11-31-12-10-19/h3-8,13-15,17,19,31H,9-12,16H2,1-2H3/q+1