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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-[(4-fluorophenyl)methyl]-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-[(4-fluorophenyl)methyl]-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-1-[(4-fluorophenyl)methyl]-6-nitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-[(4-fluorophenyl)methyl]-6-nitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-(4-fluorobenzyl)-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C30H28FN6O6+ MolecularWeight: 587.578323

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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)F)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)F)OC

InChI

InChI=1S/C30H28FN6O6/c1-42-26-14-22-24(15-27(26)43-2)33-17-34-28(22)37(16-18-3-5-19(31)6-4-18)25-8-7-21(36(40)41)13-23(25)29(38)35(30(37)39)20-9-11-32-12-10-20/h3-8,13-15,17,20,32H,9-12,16H2,1-2H3/q+1