1-(6,7-dimethoxyquinazolin-4-yl)-1,3-diethyl-6,8-dinitro-5-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1,3-diethyl-6,8-dinitro-5-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1,3-diethyl-6,8-dinitro-5-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-1,3-diethyl-6,8-dinitro-5-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1,3-diethyl-6,8-dinitro-5-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1,3-diethyl-6,8-dinitro-5-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C27H30N7O8+ MolecularWeight: 580.5692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=CC(=C2[N+](C1=O)(CC)C3=NC=NC4=CC(=C(C=C43)OC)OC)[N+](=O)[O-])[N+](=O)[O-])C5CCNCC5

Isomeric SMILES

CCN1C(=O)C2=C(C(=CC(=C2[N+](C1=O)(CC)C3=NC=NC4=CC(=C(C=C43)OC)OC)[N+](=O)[O-])[N+](=O)[O-])C5CCNCC5

InChI

InChI=1S/C27H30N7O8/c1-5-31-26(35)23-22(15-7-9-28-10-8-15)18(32(37)38)13-19(33(39)40)24(23)34(6-2,27(31)36)25-16-11-20(41-3)21(42-4)12-17(16)29-14-30-25/h11-15,28H,5-10H2,1-4H3/q+1