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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-(1-hydroxyethyl)-1-methyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-(1-hydroxyethyl)-1-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-6-(1-hydroxyethyl)-1-methyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-(1-hydroxyethyl)-1-methyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-(1-hydroxyethyl)-1-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C26H30N5O5+ MolecularWeight: 492.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=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(C1=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/C26H30N5O5/c1-15(32)16-5-6-21-19(11-16)25(33)30(17-7-9-27-10-8-17)26(34)31(21,2)24-18-12-22(35-3)23(36-4)13-20(18)28-14-29-24/h5-6,11-15,17,27,32H,7-10H2,1-4H3/q+1