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

Systemtic Name: 1-(6,7-dimethoxyphthalazin-1-yl)-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyphthalazin-1-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-1-phthalazinyl)-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyphthalazin-1-yl)-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyphthalazin-1-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C25H28N5O4+ MolecularWeight: 462.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NN=CC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NN=CC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C25H28N5O4/c1-15-5-6-20-19(11-15)24(31)29(17-7-9-26-10-8-17)25(32)30(20,2)23-18-13-22(34-4)21(33-3)12-16(18)14-27-28-23/h5-6,11-14,17,26H,7-10H2,1-4H3/q+1