1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)-1,8-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)-1,8-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-1,8-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(2-chloro-6,7-diethoxy-4-quinazolinyl)-1,8-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(2-chloro-6,7-diethoxyquinazolin-4-yl)-1,8-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-1,8-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C27H31ClN5O4+ MolecularWeight: 525.01914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN5O4/c1-5-36-21-14-19-20(15-22(21)37-6-2)30-26(28)31-24(19)33(4)23-16(3)8-7-9-18(23)25(34)32(27(33)35)17-10-12-29-13-11-17/h7-9,14-15,17,29H,5-6,10-13H2,1-4H3/q+1