1-[6,7-bis(phenylmethoxy)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-[6,7-bis(phenylmethoxy)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dibenzyloxyquinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-[6,7-bis(phenylmethoxy)-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-[6,7-bis(phenylmethoxy)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dibenzoxyquinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C37H36N5O4+ MolecularWeight: 614.71284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC=NC5=CC(=C(C=C54)OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC=NC5=CC(=C(C=C54)OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C37H36N5O4/c1-25-13-14-32-30(19-25)36(43)41(28-15-17-38-18-16-28)37(44)42(32,2)35-29-20-33(45-22-26-9-5-3-6-10-26)34(21-31(29)39-24-40-35)46-23-27-11-7-4-8-12-27/h3-14,19-21,24,28,38H,15-18,22-23H2,1-2H3/q+1