1-(6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6,8-dinitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6,8-dinitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6,8-dinitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-1-ethyl-6,8-dinitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6,8-dinitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-ethyl-6,8-dinitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C25H26N7O8+ MolecularWeight: 552.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=C(C=C2C(=O)N(C1=O)C3CCNCC3)[N+](=O)[O-])[N+](=O)[O-])C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CC[N+]1(C2=C(C=C(C=C2C(=O)N(C1=O)C3CCNCC3)[N+](=O)[O-])[N+](=O)[O-])C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C25H26N7O8/c1-4-32(23-16-11-20(39-2)21(40-3)12-18(16)27-13-28-23)22-17(9-15(30(35)36)10-19(22)31(37)38)24(33)29(25(32)34)14-5-7-26-8-6-14/h9-14,26H,4-8H2,1-3H3/q+1