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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-nitro-3-piperidin-4-yl-1-prop-2-enyl-quinazolin-1-ium-2,4-dione Openeye Name: 1-allyl-1-(6,7-dimethoxyquinazolin-4-yl)-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-prop-2-enylquinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-nitro-3-piperidin-4-yl-1-prop-2-enylquinazolin-1-ium-2,4-dione Traditional Name: 1-allyl-1-(6,7-dimethoxyquinazolin-4-yl)-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C26H27N6O6+ MolecularWeight: 519.52918

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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)CC=C)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)CC=C)OC

InChI

InChI=1S/C26H27N6O6/c1-4-11-32(24-18-13-22(37-2)23(38-3)14-20(18)28-15-29-24)21-6-5-17(31(35)36)12-19(21)25(33)30(26(32)34)16-7-9-27-10-8-16/h4-6,12-16,27H,1,7-11H2,2-3H3/q+1