1-(6,7-diethoxy-2-morpholin-4-yl-quinazolin-4-yl)-1,5-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(6,7-diethoxy-2-morpholin-4-yl-quinazolin-4-yl)-1,5-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-diethoxy-2-morpholino-quinazolin-4-yl)-1,5-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-[6,7-diethoxy-2-(4-morpholinyl)-4-quinazolinyl]-1,5-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-diethoxy-2-morpholin-4-ylquinazolin-4-yl)-1,5-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-diethoxy-2-morpholino-quinazolin-4-yl)-1,5-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C31H39N6O5+ MolecularWeight: 575.67856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)[N+]4(C5=CC=CC(=C5C(=O)N(C4=O)C6CCNCC6)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)[N+]4(C5=CC=CC(=C5C(=O)N(C4=O)C6CCNCC6)C)C)OCC

InChI

InChI=1S/C31H39N6O5/c1-5-41-25-18-22-23(19-26(25)42-6-2)33-30(35-14-16-40-17-15-35)34-28(22)37(4)24-9-7-8-20(3)27(24)29(38)36(31(37)39)21-10-12-32-13-11-21/h7-9,18-19,21,32H,5-6,10-17H2,1-4H3/q+1