[4-[1,6-dimethyl-2,4-bis(oxidanylidene)-3-piperidin-4-yl-quinazolin-1-ium-1-yl]-6-ethoxy-2-morpholin-4-yl-quinazolin-7-yl] ethanoate

Systemtic Name: [4-[1,6-dimethyl-2,4-bis(oxidanylidene)-3-piperidin-4-yl-quinazolin-1-ium-1-yl]-6-ethoxy-2-morpholin-4-yl-quinazolin-7-yl] ethanoate Openeye Name: [4-[1,6-dimethyl-2,4-dioxo-3-(4-piperidyl)quinazolin-1-ium-1-yl]-6-ethoxy-2-morpholino-quinazolin-7-yl] acetate CAS Name: acetic acid [4-[1,6-dimethyl-2,4-dioxo-3-(4-piperidinyl)-1-quinazolin-1-iumyl]-6-ethoxy-2-(4-morpholinyl)-7-quinazolinyl] ester IUPAC Name: [4-(1,6-dimethyl-2,4-dioxo-3-piperidin-4-ylquinazolin-1-ium-1-yl)-6-ethoxy-2-morpholin-4-ylquinazolin-7-yl] acetate Traditional Name: acetic acid [4-[2,4-diketo-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-1-yl]-6-ethoxy-2-morpholino-quinazolin-7-yl] ester Formula: C31H37N6O6+ MolecularWeight: 589.66208

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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)C)C(=O)N(C4=O)C6CCNCC6)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C31H37N6O6/c1-5-42-26-17-22-24(18-27(26)43-20(3)38)33-30(35-12-14-41-15-13-35)34-28(22)37(4)25-7-6-19(2)16-23(25)29(39)36(31(37)40)21-8-10-32-11-9-21/h6-7,16-18,21,32H,5,8-15H2,1-4H3/q+1