1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)-1-ethyl-6-methyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)-1-ethyl-6-methyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-1-ethyl-6-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(2-chloro-6,7-diethoxy-4-quinazolinyl)-1-ethyl-6-methyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(2-chloro-6,7-diethoxyquinazolin-4-yl)-1-ethyl-6-methyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-1-ethyl-6-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C28H33ClN5O4+ MolecularWeight: 539.04572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33ClN5O4/c1-5-34(25-19-15-23(37-6-2)24(38-7-3)16-21(19)31-27(29)32-25)22-9-8-17(4)14-20(22)26(35)33(28(34)36)18-10-12-30-13-11-18/h8-9,14-16,18,30H,5-7,10-13H2,1-4H3/q+1