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

Systemtic Name: 1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)-1-methyl-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-1-methyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(2-chloro-6,7-diethoxy-4-quinazolinyl)-1-methyl-6-nitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(2-chloro-6,7-diethoxyquinazolin-4-yl)-1-methyl-6-nitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-1-methyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C26H28ClN6O6+ MolecularWeight: 555.99012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)Cl)[N+]3(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N(C3=O)C5CCNCC5)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)Cl)[N+]3(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N(C3=O)C5CCNCC5)C)OCC

InChI

InChI=1S/C26H28ClN6O6/c1-4-38-21-13-17-19(14-22(21)39-5-2)29-25(27)30-23(17)33(3)20-7-6-16(32(36)37)12-18(20)24(34)31(26(33)35)15-8-10-28-11-9-15/h6-7,12-15,28H,4-5,8-11H2,1-3H3/q+1