4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium

C132H122N5O5+5 — CID 159649690

About 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium

4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium (PubChem CID 159649690) has the molecular formula C132H122N5O5+5 and a molecular weight of 1877.57 g/mol. Its IUPAC name is 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium
• PubChem CID: 159649690
• Molecular Formula: C132H122N5O5+5
• Molecular Weight: 1877.57 g/mol
• Exact Mass: 1876.06
• IUPAC Name: 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium
• SMILES: [2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)cc(C([2H])([2H])[2H])c3c2oc2c4ccccc4ccc23)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)cc[n+]2C)c2oc3c4ccccc4ccc3c12.[2H]C([2H])([2H])c1ccc(-c2c(C)cc(C([2H])([2H])[2H])c3c2oc2c4ccccc4ccc23)[n+](C)c1.[2H]C([2H])(c1cc[n+](C)c(-c2c(C)ccc3c2oc2c4ccccc4ccc32)c1)C(C)C.[2H]C([2H])(c1cc[n+](C)c(-c2c(C)ccc3c2oc2c4ccccc4ccc32)c1)C1CCCC1
• InChI: InChI=1S/C29H28NO.C27H26NO.C26H24NO.2C25H22NO/c1-19-11-13-25-24-14-12-22-9-5-6-10-23(22)28(24)31-29(25)27(19)26-18-21(15-16-30(26)2)17-20-7-3-4-8-20;1-17(2)15-19-13-14-28(4)24(16-19)25-18(3)9-11-23-22-12-10-20-7-5-6-8-21(20)26(22)29-27(23)25;1-15-13-22(27(5)14-18(15)4)24-17(3)12-16(2)23-21-11-10-19-8-6-7-9-20(19)25(21)28-26(23)24;1-15-9-12-21(26(4)14-15)23-17(3)13-16(2)22-20-11-10-18-7-5-6-8-19(18)24(20)27-25(22)23;1-15-11-12-26(4)21(13-15)23-17(3)14-16(2)22-20-10-9-18-7-5-6-8-19(18)24(20)27-25(22)23/h5-6,9-16,18,20H,3-4,7-8,17H2,1-2H3;5-14,16-17H,15H2,1-4H3;6-14H,1-5H3;2*5-14H,1-4H3/q5*+1/i17D2;15D2;2D3,4D3;1D3,2D3;2D3
• InChIKey: HARZEKLLHSPDBB-OAFHLWQTSA-N
• XLogP: 32.79
• TPSA: 85.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1877.57
LogP ≤ 5	32.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium?

The IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium (CID 159649690) is 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium.

What is the SMILES notation for 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium?

The canonical SMILES for 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium is [2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)cc(C([2H])([2H])[2H])c3c2oc2c4ccccc4ccc23)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)cc[n+]2C)c2oc3c4ccccc4ccc3c12.[2H]C([2H])([2H])c1ccc(-c2c(C)cc(C([2H])([2H])[2H])c3c2oc2c4ccccc4ccc23)[n+](C)c1.[2H]C([2H])(c1cc[n+](C)c(-c2c(C)ccc3c2oc2c4ccccc4ccc32)c1)C(C)C.[2H]C([2H])(c1cc[n+](C)c(-c2c(C)ccc3c2oc2c4ccccc4ccc32)c1)C1CCCC1.

What is the InChIKey of 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium?

The InChIKey is HARZEKLLHSPDBB-OAFHLWQTSA-N. The full InChI is InChI=1S/C29H28NO.C27H26NO.C26H24NO.2C25H22NO/c1-19-11-13-25-24-14-12-22-9-5-6-10-23(22)28(24)31-29(25)27(19)26-18-21(15-16-30(26)2)17-20-7-3-4-8-20;1-17(2)15-19-13-14-28(4)24(16-19)25-18(3)9-11-23-22-12-10-20-7-5-6-8-21(20)26(22)29-27(23)25;1-15-13-22(27(5)14-18(15)4)24-17(3)12-16(2)23-21-11-10-19-8-6-7-9-20(19)25(21)28-26(23)24;1-15-9-12-21(26(4)14-15)23-17(3)13-16(2)22-20-11-10-18-7-5-6-8-19(18)24(20)27-25(22)23;1-15-11-12-26(4)21(13-15)23-17(3)14-16(2)22-20-10-9-18-7-5-6-8-19(18)24(20)27-25(22)23/h5-6,9-16,18,20H,3-4,7-8,17H2,1-2H3;5-14,16-17H,15H2,1-4H3;6-14H,1-5H3;2*5-14H,1-4H3/q5*+1/i17D2;15D2;2D3,4D3;1D3,2D3;2D3.

What are the key properties of 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium?

4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium has a molecular weight of 1877.57 g/mol, XLogP of 32.79, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclopentyl(dideuterio)methyl]-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4-dimethyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran-10-yl]-5-(trideuteriomethyl)pyridin-1-ium is sourced from PubChem (CID 159649690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).