1-[2-chloranyl-6,7-di(propan-2-yloxy)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-[2-chloranyl-6,7-di(propan-2-yloxy)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(2-chloro-6,7-diisopropoxy-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-[2-chloro-6,7-di(propan-2-yloxy)-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-[2-chloro-6,7-di(propan-2-yloxy)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(2-chloro-6,7-diisopropoxy-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C29H35ClN5O4+ MolecularWeight: 553.0723

Click to see the large picture

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(C)C)OC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H35ClN5O4/c1-16(2)38-24-14-20-22(15-25(24)39-17(3)4)32-28(30)33-26(20)35(6)23-8-7-18(5)13-21(23)27(36)34(29(35)37)19-9-11-31-12-10-19/h7-8,13-17,19,31H,9-12H2,1-6H3/q+1