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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-methyl-3-piperidin-4-yl-1-prop-2-enyl-quinazolin-1-ium-2,4-dione Openeye Name: 1-allyl-1-(6,7-dimethoxyquinazolin-4-yl)-6-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-6-methyl-3-(4-piperidinyl)-1-prop-2-enylquinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-methyl-3-piperidin-4-yl-1-prop-2-enylquinazolin-1-ium-2,4-dione Traditional Name: 1-allyl-1-(6,7-dimethoxyquinazolin-4-yl)-6-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C27H30N5O4+ MolecularWeight: 488.5582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N5O4/c1-5-12-32(25-19-14-23(35-3)24(36-4)15-21(19)29-16-30-25)22-7-6-17(2)13-20(22)26(33)31(27(32)34)18-8-10-28-11-9-18/h5-7,13-16,18,28H,1,8-12H2,2-4H3/q+1