1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxy-ethanone Openeye Name: 1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxy-ethanone CAS Name: 1-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone IUPAC Name: 1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone Traditional Name: 1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxy-ethanone Formula: C21H28N5O2+ MolecularWeight: 382.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CN(CC2)C(=O)COC3=CC=CC=C3)C(=N1)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NC2=C(CN(CC2)C(=O)COC3=CC=CC=C3)C(=N1)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H27N5O2/c1-16-22-19-8-9-26(20(27)15-28-17-6-4-3-5-7-17)14-18(19)21(23-16)25-12-10-24(2)11-13-25/h3-7H,8-15H2,1-2H3/p+1