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

Systemtic Name: 1-(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)-1-ethyl-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(2-chloro-6,7-dimethoxy-quinazolin-4-yl)-1-ethyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(2-chloro-6,7-dimethoxy-4-quinazolinyl)-1-ethyl-6-nitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6-nitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(2-chloro-6,7-dimethoxy-quinazolin-4-yl)-1-ethyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C25H26ClN6O6+ MolecularWeight: 541.96354

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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)Cl

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)Cl

InChI

InChI=1S/C25H26ClN6O6/c1-4-32(22-16-12-20(37-2)21(38-3)13-18(16)28-24(26)29-22)19-6-5-15(31(35)36)11-17(19)23(33)30(25(32)34)14-7-9-27-10-8-14/h5-6,11-14,27H,4,7-10H2,1-3H3/q+1