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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-1-ethyl-6-nitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6-nitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C25H27N6O6+ MolecularWeight: 507.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC[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

CC[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/C25H27N6O6/c1-4-31(23-17-12-21(36-2)22(37-3)13-19(17)27-14-28-23)20-6-5-16(30(34)35)11-18(20)24(32)29(25(31)33)15-7-9-26-10-8-15/h5-6,11-15,26H,4,7-10H2,1-3H3/q+1