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

Systemtic Name: 1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)-1-methyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-1-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(2-chloro-6,7-diethoxy-4-quinazolinyl)-1-methyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(2-chloro-6,7-diethoxyquinazolin-4-yl)-1-methyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-1-methyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C26H29ClN5O4+ MolecularWeight: 510.99256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)Cl)[N+]3(C4=CC=CC=C4C(=O)N(C3=O)C5CCNCC5)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)Cl)[N+]3(C4=CC=CC=C4C(=O)N(C3=O)C5CCNCC5)C)OCC

InChI

InChI=1S/C26H29ClN5O4/c1-4-35-21-14-18-19(15-22(21)36-5-2)29-25(27)30-23(18)32(3)20-9-7-6-8-17(20)24(33)31(26(32)34)16-10-12-28-13-11-16/h6-9,14-16,28H,4-5,10-13H2,1-3H3/q+1