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

Systemtic Name: 1-(6,7-diethoxy-2-piperidin-1-yl-quinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione hydrochloride Openeye Name: 1-[6,7-diethoxy-2-(1-piperidyl)quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione hydrochloride CAS Name: 1-[6,7-diethoxy-2-(1-piperidinyl)-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione hydrochloride IUPAC Name: 1-(6,7-diethoxy-2-piperidin-1-ylquinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione hydrochloride Traditional Name: 1-(6,7-diethoxy-2-piperidino-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone hydrochloride Formula: C32H42ClN6O4+ MolecularWeight: 610.16668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCCC3)[N+]4(C5=C(C=C(C=C5)C)C(=O)N(C4=O)C6CCNCC6)C)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCCC3)[N+]4(C5=C(C=C(C=C5)C)C(=O)N(C4=O)C6CCNCC6)C)OCC.Cl

InChI

InChI=1S/C32H41N6O4.ClH/c1-5-41-27-19-23-25(20-28(27)42-6-2)34-31(36-16-8-7-9-17-36)35-29(23)38(4)26-11-10-21(3)18-24(26)30(39)37(32(38)40)22-12-14-33-15-13-22;/h10-11,18-20,22,33H,5-9,12-17H2,1-4H3;1H/q+1;