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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-3-piperidin-4-yl-6-propoxy-1-propyl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-3-(4-piperidyl)-6-propoxy-1-propyl-quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-3-(4-piperidinyl)-6-propoxy-1-propylquinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-3-piperidin-4-yl-6-propoxy-1-propylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-3-(4-piperidyl)-6-propoxy-1-propyl-quinazolin-1-ium-2,4-quinone Formula: C29H36N5O5+ MolecularWeight: 534.62664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N5O5/c1-5-13-34(27-21-16-25(37-3)26(38-4)17-23(21)31-18-32-27)24-8-7-20(39-14-6-2)15-22(24)28(35)33(29(34)36)19-9-11-30-12-10-19/h7-8,15-19,30H,5-6,9-14H2,1-4H3/q+1