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

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

CC[N+]1(C2=C(C(=C(C=C2)[N+](=O)[O-])C3CCNCC3)C(=O)N(C1=O)C)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CC[N+]1(C2=C(C(=C(C=C2)[N+](=O)[O-])C3CCNCC3)C(=O)N(C1=O)C)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

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