1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-1-methyl-6-nitro-5-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-1-methyl-6-nitro-5-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-1-methyl-6-nitro-5-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-3-ethyl-1-methyl-6-nitro-5-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-1-methyl-6-nitro-5-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-1-methyl-6-nitro-5-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C26H29N6O6+ MolecularWeight: 521.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2C3CCNCC3)[N+](=O)[O-])[N+](C1=O)(C)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2C3CCNCC3)[N+](=O)[O-])[N+](C1=O)(C)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C26H29N6O6/c1-5-30-25(33)23-19(7-6-18(31(35)36)22(23)15-8-10-27-11-9-15)32(2,26(30)34)24-16-12-20(37-3)21(38-4)13-17(16)28-14-29-24/h6-7,12-15,27H,5,8-11H2,1-4H3/q+1