16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium

C104H83N7O8+4 — CID 159507952

IUPAC16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium
SMILESCc1ccc2c(oc3ccc4c5ccccc5oc4c32)c1-c1cccc[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2ccc4oc5cccnc5c4c23)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2ccc4oc5ccncc5c4c23)cc1C.[2H]C([2H])([2H])c1ccc2c(n1)oc1ccc3oc4c(-c5cc(C)c(C([2H])([2H])[2H])c[n+]5C)c(C)ccc4c3c12
InChIInChI=1S/C27H23N2O2.2C26H21N2O2.C25H18NO2/c1-14-6-8-18-24-21(10-11-22-25(24)19-9-7-17(4)28-27(19)31-22)30-26(18)23(14)20-12-15(2)16(3)13-29(20)5;1-14-5-6-17-24-22(8-7-21-25(24)18-12-27-10-9-20(18)29-21)30-26(17)23(14)19-11-15(2)16(3)13-28(19)4;1-14-7-8-17-23-19(9-10-20-24(23)25-21(29-20)6-5-11-27-25)30-26(17)22(14)18-12-15(2)16(3)13-28(18)4;1-15-10-11-18-23-21(28-25(18)22(15)19-8-5-6-14-26(19)2)13-12-17-16-7-3-4-9-20(16)27-24(17)23/h6-13H,1-5H3;2*5-13H,1-4H3;3-14H,1-2H3/q4*+1/i3D3,4D3;2*3D3;
InChIKeyLODFDIHTEPKCHK-LWMNJLGPSA-N
MW1570.92 g/mol
LogP25.49
Rot. Bonds8

About 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium

16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium (PubChem CID 159507952) has the molecular formula C104H83N7O8+4 and a molecular weight of 1570.92 g/mol. Its IUPAC name is 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium.

Molecular Properties

Compound Name16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium
PubChem CID159507952
Molecular FormulaC104H83N7O8+4
Molecular Weight1570.92 g/mol
Exact Mass1569.70
IUPAC Name16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium
SMILESCc1ccc2c(oc3ccc4c5ccccc5oc4c32)c1-c1cccc[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2ccc4oc5cccnc5c4c23)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2ccc4oc5ccncc5c4c23)cc1C.[2H]C([2H])([2H])c1ccc2c(n1)oc1ccc3oc4c(-c5cc(C)c(C([2H])([2H])[2H])c[n+]5C)c(C)ccc4c3c12
InChIInChI=1S/C27H23N2O2.2C26H21N2O2.C25H18NO2/c1-14-6-8-18-24-21(10-11-22-25(24)19-9-7-17(4)28-27(19)31-22)30-26(18)23(14)20-12-15(2)16(3)13-29(20)5;1-14-5-6-17-24-22(8-7-21-25(24)18-12-27-10-9-20(18)29-21)30-26(17)23(14)19-11-15(2)16(3)13-28(19)4;1-14-7-8-17-23-19(9-10-20-24(23)25-21(29-20)6-5-11-27-25)30-26(17)22(14)18-12-15(2)16(3)13-28(18)4;1-15-10-11-18-23-21(28-25(18)22(15)19-8-5-6-14-26(19)2)13-12-17-16-7-3-4-9-20(16)27-24(17)23/h6-13H,1-5H3;2*5-13H,1-4H3;3-14H,1-2H3/q4*+1/i3D3,4D3;2*3D3;
InChIKeyLODFDIHTEPKCHK-LWMNJLGPSA-N
XLogP25.49
TPSA159.31 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001570.92
LogP ≤ 525.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium?
The IUPAC name of 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium (CID 159507952) is 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium.
What is the SMILES notation for 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium?
The canonical SMILES for 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium is Cc1ccc2c(oc3ccc4c5ccccc5oc4c32)c1-c1cccc[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2ccc4oc5cccnc5c4c23)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2ccc4oc5ccncc5c4c23)cc1C.[2H]C([2H])([2H])c1ccc2c(n1)oc1ccc3oc4c(-c5cc(C)c(C([2H])([2H])[2H])c[n+]5C)c(C)ccc4c3c12.
What is the InChIKey of 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium?
The InChIKey is LODFDIHTEPKCHK-LWMNJLGPSA-N. The full InChI is InChI=1S/C27H23N2O2.2C26H21N2O2.C25H18NO2/c1-14-6-8-18-24-21(10-11-22-25(24)19-9-7-17(4)28-27(19)31-22)30-26(18)23(14)20-12-15(2)16(3)13-29(20)5;1-14-5-6-17-24-22(8-7-21-25(24)18-12-27-10-9-20(18)29-21)30-26(17)23(14)19-11-15(2)16(3)13-28(19)4;1-14-7-8-17-23-19(9-10-20-24(23)25-21(29-20)6-5-11-27-25)30-26(17)22(14)18-12-15(2)16(3)13-28(18)4;1-15-10-11-18-23-21(28-25(18)22(15)19-8-5-6-14-26(19)2)13-12-17-16-7-3-4-9-20(16)27-24(17)23/h6-13H,1-5H3;2*5-13H,1-4H3;3-14H,1-2H3/q4*+1/i3D3,4D3;2*3D3;.
What are the key properties of 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium?
16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium has a molecular weight of 1570.92 g/mol, XLogP of 25.49, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-9,14-dioxa-5-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;16-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-17-methyl-6-(trideuteriomethyl)-9,14-dioxa-7-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;1-methyl-2-(6-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)pyridin-1-ium is sourced from PubChem (CID 159507952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).