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

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

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=NN=C(C5=CC(=C(C=C54)OC)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NN=C(C5=CC(=C(C=C54)OC)OC)Cl

InChI

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