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

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-(2-dimethylaminoethyl)-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-(2-dimethylaminoethyl)-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-1-(2-dimethylaminoethyl)-6-nitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-(2-dimethylaminoethyl)-6-nitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-(2-dimethylaminoethyl)-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C27H32N7O6+ MolecularWeight: 550.58628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[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

CN(C)CC[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/C27H32N7O6/c1-31(2)11-12-34(25-19-14-23(39-3)24(40-4)15-21(19)29-16-30-25)22-6-5-18(33(37)38)13-20(22)26(35)32(27(34)36)17-7-9-28-10-8-17/h5-6,13-17,28H,7-12H2,1-4H3/q+1