1-(6,7-dimethoxyquinazolin-4-yl)-6-methyl-1-pentyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-methyl-1-pentyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-methyl-1-pentyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-6-methyl-1-pentyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-methyl-1-pentyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-amyl-1-(6,7-dimethoxyquinazolin-4-yl)-6-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C29H36N5O4+ MolecularWeight: 518.62724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(C2=C(C=C(C=C2)C)C(=O)N(C1=O)C3CCNCC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CCCCC[N+]1(C2=C(C=C(C=C2)C)C(=O)N(C1=O)C3CCNCC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C29H36N5O4/c1-5-6-7-14-34(27-21-16-25(37-3)26(38-4)17-23(21)31-18-32-27)24-9-8-19(2)15-22(24)28(35)33(29(34)36)20-10-12-30-13-11-20/h8-9,15-18,20,30H,5-7,10-14H2,1-4H3/q+1