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

Systemtic Name: 1-(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(2-chloro-6,7-dimethoxy-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(2-chloro-6,7-dimethoxy-4-quinazolinyl)-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(2-chloro-6,7-dimethoxy-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C25H27ClN5O4+ MolecularWeight: 496.96598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC(=NC5=CC(=C(C=C54)OC)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC(=NC5=CC(=C(C=C54)OC)OC)Cl

InChI

InChI=1S/C25H27ClN5O4/c1-14-5-6-19-17(11-14)23(32)30(15-7-9-27-10-8-15)25(33)31(19,2)22-16-12-20(34-3)21(35-4)13-18(16)28-24(26)29-22/h5-6,11-13,15,27H,7-10H2,1-4H3/q+1