1-(6,7-dimethoxyquinazolin-4-yl)-5-methyl-3-piperidin-4-yl-1-propyl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-5-methyl-3-piperidin-4-yl-1-propyl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-5-methyl-3-(4-piperidyl)-1-propyl-quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-5-methyl-3-(4-piperidinyl)-1-propylquinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-5-methyl-3-piperidin-4-yl-1-propylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-5-methyl-3-(4-piperidyl)-1-propyl-quinazolin-1-ium-2,4-quinone Formula: C27H32N5O4+ MolecularWeight: 490.57408

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=CC=CC(=C2C(=O)N(C1=O)C3CCNCC3)C)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CCC[N+]1(C2=CC=CC(=C2C(=O)N(C1=O)C3CCNCC3)C)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C27H32N5O4/c1-5-13-32(25-19-14-22(35-3)23(36-4)15-20(19)29-16-30-25)21-8-6-7-17(2)24(21)26(33)31(27(32)34)18-9-11-28-12-10-18/h6-8,14-16,18,28H,5,9-13H2,1-4H3/q+1