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

Systemtic Name: 1-(6,7-diethoxy-2-morpholin-4-yl-quinazolin-4-yl)-1-methyl-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-diethoxy-2-morpholino-quinazolin-4-yl)-1-methyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-[6,7-diethoxy-2-(4-morpholinyl)-4-quinazolinyl]-1-methyl-6-nitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-diethoxy-2-morpholin-4-ylquinazolin-4-yl)-1-methyl-6-nitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-diethoxy-2-morpholino-quinazolin-4-yl)-1-methyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C30H36N7O7+ MolecularWeight: 606.64954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)[N+]4(C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N(C4=O)C6CCNCC6)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)[N+]4(C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N(C4=O)C6CCNCC6)C)OCC

InChI

InChI=1S/C30H36N7O7/c1-4-43-25-17-21-23(18-26(25)44-5-2)32-29(34-12-14-42-15-13-34)33-27(21)37(3)24-7-6-20(36(40)41)16-22(24)28(38)35(30(37)39)19-8-10-31-11-9-19/h6-7,16-19,31H,4-5,8-15H2,1-3H3/q+1