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

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

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)C

InChI

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