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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-(2-methylpropyl)-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-isobutyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-1-(2-methylpropyl)-6-nitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-(2-methylpropyl)-6-nitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-isobutyl-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C27H31N6O6+ MolecularWeight: 535.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N6O6/c1-16(2)14-33(25-19-12-23(38-3)24(39-4)13-21(19)29-15-30-25)22-6-5-18(32(36)37)11-20(22)26(34)31(27(33)35)17-7-9-28-10-8-17/h5-6,11-13,15-17,28H,7-10,14H2,1-4H3/q+1