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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N5O5/c1-5-32(25-19-14-23(35-3)24(36-4)15-21(19)29-16-30-25)22-8-7-18(37-6-2)13-20(22)26(33)31(27(32)34)17-9-11-28-12-10-17/h7-8,13-17,28H,5-6,9-12H2,1-4H3/q+1