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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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