About 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 160570372) has the molecular formula C146H149N10+5
and a molecular weight of 2059.97 g/mol. Its IUPAC name is 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
Frequently Asked Questions
What is the IUPAC name of 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 160570372) is 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is Cc1ccccc1-c1c2c(cc[n+]1C)c1cc3ccccc3cc1n2C.[2H]C([2H])([2H])c1ccc(-c2c3c(c(C([2H])([2H])[2H])c[n+]2C)c2ccc4cc(C5([2H])CCCC5)ccc4c2n3C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2c3c(c(C([2H])([2H])[2H])c[n+]2C)c2ccc4cc(C5([2H])CCCCC5)ccc4c2n3C)c(C)c1.[2H]C1(c2ccc3c(ccc4c5cc[n+](C)c(-c6ccccc6C)c5n(C)c34)c2)CCCC1.[2H]C1(c2ccc3c(ccc4c5cc[n+](C)c(-c6ccccc6C)c5n(C)c34)c2)CCCCC1.
What is the InChIKey of 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is ZKTRIABRZOLGDV-SOCZHYQFSA-N. The full InChI is InChI=1S/C32H35N2.C31H33N2.C30H31N2.C29H29N2.C24H21N2/c1-20-11-14-26(21(2)17-20)31-32-29(22(3)19-33(31)4)28-16-13-25-18-24(23-9-7-6-8-10-23)12-15-27(25)30(28)34(32)5;1-19-10-13-25(20(2)16-19)30-31-28(21(3)18-32(30)4)27-15-12-24-17-23(22-8-6-7-9-22)11-14-26(24)29(27)33(31)5;1-20-9-7-8-12-24(20)29-30-27(17-18-31(29)2)26-16-14-23-19-22(21-10-5-4-6-11-21)13-15-25(23)28(26)32(30)3;1-19-8-4-7-11-23(19)28-29-26(16-17-30(28)2)25-15-13-22-18-21(20-9-5-6-10-20)12-14-24(22)27(25)31(29)3;1-16-8-4-7-11-19(16)23-24-20(12-13-25(23)2)21-14-17-9-5-6-10-18(17)15-22(21)26(24)3/h11-19,23H,6-10H2,1-5H3;10-18,22H,6-9H2,1-5H3;7-9,12-19,21H,4-6,10-11H2,1-3H3;4,7-8,11-18,20H,5-6,9-10H2,1-3H3;4-15H,1-3H3/q5*+1/i1D3,3D3,23D;1D3,3D3,22D;21D;20D;.
What are the key properties of 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 2059.97 g/mol, XLogP of 35.07, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclohexyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;5-(1-deuteriocyclopentyl)-14,17-dimethyl-15-[2-methyl-4-(trideuteriomethyl)phenyl]-12-(trideuteriomethyl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 160570372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).