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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-methyl-6-(2-oxidanylpropyl)-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-(2-hydroxypropyl)-1-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-6-(2-hydroxypropyl)-1-methyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-(2-hydroxypropyl)-1-methyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-(2-hydroxypropyl)-1-methyl-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(CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC=NC5=CC(=C(C=C54)OC)OC)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC=NC5=CC(=C(C=C54)OC)OC)O

InChI

InChI=1S/C27H32N5O5/c1-16(33)11-17-5-6-22-20(12-17)26(34)31(18-7-9-28-10-8-18)27(35)32(22,2)25-19-13-23(36-3)24(37-4)14-21(19)29-15-30-25/h5-6,12-16,18,28,33H,7-11H2,1-4H3/q+1