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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-methoxy-3-piperidin-4-yl-1-propyl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-methoxy-3-(4-piperidyl)-1-propyl-quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-6-methoxy-3-(4-piperidinyl)-1-propylquinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-methoxy-3-piperidin-4-yl-1-propylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-methoxy-3-(4-piperidyl)-1-propyl-quinazolin-1-ium-2,4-quinone Formula: C27H32N5O5+ MolecularWeight: 506.57348

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H32N5O5/c1-5-12-32(25-19-14-23(36-3)24(37-4)15-21(19)29-16-30-25)22-7-6-18(35-2)13-20(22)26(33)31(27(32)34)17-8-10-28-11-9-17/h6-7,13-17,28H,5,8-12H2,1-4H3/q+1