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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C26H29N6O6/c1-15(2)32(24-18-12-22(37-3)23(38-4)13-20(18)28-14-29-24)21-6-5-17(31(35)36)11-19(21)25(33)30(26(32)34)16-7-9-27-10-8-16/h5-6,11-16,27H,7-10H2,1-4H3/q+1