6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium

C138H182N5Si+5 — CID 158978659

About 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium

6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium (PubChem CID 158978659) has the molecular formula C138H182N5Si+5 and a molecular weight of 1944.13 g/mol. Its IUPAC name is 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium.

Molecular Properties

• Compound Name: 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
• PubChem CID: 158978659
• Molecular Formula: C138H182N5Si+5
• Molecular Weight: 1944.13 g/mol
• Exact Mass: 1942.45
• IUPAC Name: 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
• SMILES: [2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(C(C(C)C)C(C)C)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(C3CCC(C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(C3CC[Si](C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(CC(C)(C)C)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(CC3CCCC3)cc12
• InChI: InChI=1S/C29H38N.C28H38NSi.C28H38N.C27H34N.C26H34N/c1-18-13-19(2)22(5)26(14-18)28-27-15-20(3)25(17-24(27)16-21(4)30(28)8)23-9-11-29(6,7)12-10-23;1-18-13-19(2)22(5)26(14-18)28-27-15-20(3)25(17-24(27)16-21(4)29(28)6)23-9-11-30(7,8)12-10-23;1-16(2)27(17(3)4)24-15-23-14-21(8)29(10)28(26(23)13-20(24)7)25-12-18(5)11-19(6)22(25)9;1-17-11-18(2)21(5)25(12-17)27-26-13-19(3)23(15-22-9-7-8-10-22)16-24(26)14-20(4)28(27)6;1-16-10-17(2)20(5)23(11-16)25-24-12-18(3)22(15-26(6,7)8)14-21(24)13-19(4)27(25)9/h2*13-17,23H,9-12H2,1-8H3;11-17,27H,1-10H3;11-14,16,22H,7-10,15H2,1-6H3;10-14H,15H2,1-9H3/q5*+1/i2*16D;2*14D;13D
• InChIKey: UCPAKMHDUMLUOS-RVCLLVAQSA-N
• XLogP: 35.35
• TPSA: 19.40 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1944.13
LogP ≤ 5	35.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

The IUPAC name of 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium (CID 158978659) is 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium.

What is the SMILES notation for 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

The canonical SMILES for 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium is [2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(C(C(C)C)C(C)C)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(C3CCC(C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(C3CC[Si](C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(CC(C)(C)C)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(CC3CCCC3)cc12.

What is the InChIKey of 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

The InChIKey is UCPAKMHDUMLUOS-RVCLLVAQSA-N. The full InChI is InChI=1S/C29H38N.C28H38NSi.C28H38N.C27H34N.C26H34N/c1-18-13-19(2)22(5)26(14-18)28-27-15-20(3)25(17-24(27)16-21(4)30(28)8)23-9-11-29(6,7)12-10-23;1-18-13-19(2)22(5)26(14-18)28-27-15-20(3)25(17-24(27)16-21(4)29(28)6)23-9-11-30(7,8)12-10-23;1-16(2)27(17(3)4)24-15-23-14-21(8)29(10)28(26(23)13-20(24)7)25-12-18(5)11-19(6)22(25)9;1-17-11-18(2)21(5)25(12-17)27-26-13-19(3)23(15-22-9-7-8-10-22)16-24(26)14-20(4)28(27)6;1-16-10-17(2)20(5)23(11-16)25-24-12-18(3)22(15-26(6,7)8)14-21(24)13-19(4)27(25)9/h2*13-17,23H,9-12H2,1-8H3;11-17,27H,1-10H3;11-14,16,22H,7-10,15H2,1-6H3;10-14H,15H2,1-9H3/q5*+1/i2*16D;2*14D;13D.

What are the key properties of 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium has a molecular weight of 1944.13 g/mol, XLogP of 35.35, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopentylmethyl)-4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(4,4-dimethylcyclohexyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(2,2-dimethylpropyl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium is sourced from PubChem (CID 158978659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).