N-[[2,4-bis(fluoranyl)phenyl]methyl]-6-(4-methoxyphenyl)sulfonyl-2-[4-(1-methylpiperidin-1-ium-1-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine iodide

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-6-(4-methoxyphenyl)sulfonyl-2-[4-(1-methylpiperidin-1-ium-1-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine iodide Openeye Name: N-[(2,4-difluorophenyl)methyl]-6-(4-methoxyphenyl)sulfonyl-2-[4-(1-methylpiperidin-1-ium-1-yl)-1-piperidyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine iodide CAS Name: N-[(2,4-difluorophenyl)methyl]-6-(4-methoxyphenyl)sulfonyl-2-[4-(1-methyl-1-piperidin-1-iumyl)-1-piperidinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine iodide IUPAC Name: N-[(2,4-difluorophenyl)methyl]-6-(4-methoxyphenyl)sulfonyl-2-[4-(1-methylpiperidin-1-ium-1-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine iodide Traditional Name: (2,4-difluorobenzyl)-[6-(4-methoxyphenyl)sulfonyl-2-[4-(1-methylpiperidin-1-ium-1-yl)piperidino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amine iodide Formula: C32H41F2IN6O3S MolecularWeight: 754.672616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C2CCN(CC2)C3=NC4=C(CN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC)C(=N3)NCC6=C(C=C(C=C6)F)F.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)C2CCN(CC2)C3=NC4=C(CN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC)C(=N3)NCC6=C(C=C(C=C6)F)F.[I-]

InChI

InChI=1S/C32H41F2N6O3S.HI/c1-40(18-4-3-5-19-40)25-12-15-38(16-13-25)32-36-30-14-17-39(44(41,42)27-10-8-26(43-2)9-11-27)22-28(30)31(37-32)35-21-23-6-7-24(33)20-29(23)34;/h6-11,20,25H,3-5,12-19,21-22H2,1-2H3,(H,35,36,37);1H/q+1;/p-1