1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium

C185H208N8O16+8 — CID 158379427

About 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium

1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium (PubChem CID 158379427) has the molecular formula C185H208N8O16+8 and a molecular weight of 2799.74 g/mol. Its IUPAC name is 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium.

Molecular Properties

• Compound Name: 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium
• PubChem CID: 158379427
• Molecular Formula: C185H208N8O16+8
• Molecular Weight: 2799.74 g/mol
• Exact Mass: 2797.57
• IUPAC Name: 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium
• SMILES: CCCOc1cc(OCCC)c(C)c(-c2c3ccccc3cc[n+]2C)c1.CCOc1cc(OCC)c(C)c(-c2c3ccccc3cc[n+]2C)c1.COc1cc(OC)c(C)c(-c2c3ccccc3cc[n+]2C)c1.Cc1c(OC(C)C)cc(OC(C)C)cc1-c1c2ccccc2cc[n+]1C.Cc1c(OCC(C)(C)C)cc(OCC(C)(C)C)cc1-c1c2ccccc2cc[n+]1C.Cc1c(OCC(C)C)cc(OCC(C)C)cc1-c1c2ccccc2cc[n+]1C.Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1-c1c2ccccc2cc[n+]1C.Cc1cc2c(cc1-c1c3ccccc3cc[n+]1C)OCO2
• InChI: InChI=1S/C29H24NO2.C27H36NO2.C25H32NO2.2C23H28NO2.C21H24NO2.C19H20NO2.C18H16NO2/c1-21-27(29-26-16-10-9-11-22(26)17-18-30(29)2)19-25(31-23-12-5-3-6-13-23)20-28(21)32-24-14-7-4-8-15-24;1-19-23(25-22-12-10-9-11-20(22)13-14-28(25)8)15-21(29-17-26(2,3)4)16-24(19)30-18-27(5,6)7;1-17(2)15-27-21-13-23(19(5)24(14-21)28-16-18(3)4)25-22-10-8-7-9-20(22)11-12-26(25)6;1-15(2)25-19-13-21(17(5)22(14-19)26-16(3)4)23-20-10-8-7-9-18(20)11-12-24(23)6;1-5-13-25-19-15-21(17(3)22(16-19)26-14-6-2)23-20-10-8-7-9-18(20)11-12-24(23)4;1-5-23-17-13-19(15(3)20(14-17)24-6-2)21-18-10-8-7-9-16(18)11-12-22(21)4;1-13-17(11-15(21-3)12-18(13)22-4)19-16-8-6-5-7-14(16)9-10-20(19)2;1-12-9-16-17(21-11-20-16)10-15(12)18-14-6-4-3-5-13(14)7-8-19(18)2/h3-20H,1-2H3;9-16H,17-18H2,1-8H3;7-14,17-18H,15-16H2,1-6H3;7-16H,1-6H3;7-12,15-16H,5-6,13-14H2,1-4H3;7-14H,5-6H2,1-4H3;5-12H,1-4H3;3-10H,11H2,1-2H3/q8*+1
• InChIKey: LLCSZFRDHMVSTA-UHFFFAOYSA-N
• XLogP: 41.32
• TPSA: 178.72 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 38
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2799.74
LogP ≤ 5	41.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium?

The IUPAC name of 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium (CID 158379427) is 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium.

What is the SMILES notation for 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium?

The canonical SMILES for 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium is CCCOc1cc(OCCC)c(C)c(-c2c3ccccc3cc[n+]2C)c1.CCOc1cc(OCC)c(C)c(-c2c3ccccc3cc[n+]2C)c1.COc1cc(OC)c(C)c(-c2c3ccccc3cc[n+]2C)c1.Cc1c(OC(C)C)cc(OC(C)C)cc1-c1c2ccccc2cc[n+]1C.Cc1c(OCC(C)(C)C)cc(OCC(C)(C)C)cc1-c1c2ccccc2cc[n+]1C.Cc1c(OCC(C)C)cc(OCC(C)C)cc1-c1c2ccccc2cc[n+]1C.Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1-c1c2ccccc2cc[n+]1C.Cc1cc2c(cc1-c1c3ccccc3cc[n+]1C)OCO2.

What is the InChIKey of 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium?

The InChIKey is LLCSZFRDHMVSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24NO2.C27H36NO2.C25H32NO2.2C23H28NO2.C21H24NO2.C19H20NO2.C18H16NO2/c1-21-27(29-26-16-10-9-11-22(26)17-18-30(29)2)19-25(31-23-12-5-3-6-13-23)20-28(21)32-24-14-7-4-8-15-24;1-19-23(25-22-12-10-9-11-20(22)13-14-28(25)8)15-21(29-17-26(2,3)4)16-24(19)30-18-27(5,6)7;1-17(2)15-27-21-13-23(19(5)24(14-21)28-16-18(3)4)25-22-10-8-7-9-20(22)11-12-26(25)6;1-15(2)25-19-13-21(17(5)22(14-19)26-16(3)4)23-20-10-8-7-9-18(20)11-12-24(23)6;1-5-13-25-19-15-21(17(3)22(16-19)26-14-6-2)23-20-10-8-7-9-18(20)11-12-24(23)4;1-5-23-17-13-19(15(3)20(14-17)24-6-2)21-18-10-8-7-9-16(18)11-12-22(21)4;1-13-17(11-15(21-3)12-18(13)22-4)19-16-8-6-5-7-14(16)9-10-20(19)2;1-12-9-16-17(21-11-20-16)10-15(12)18-14-6-4-3-5-13(14)7-8-19(18)2/h3-20H,1-2H3;9-16H,17-18H2,1-8H3;7-14,17-18H,15-16H2,1-6H3;7-16H,1-6H3;7-12,15-16H,5-6,13-14H2,1-4H3;7-14H,5-6H2,1-4H3;5-12H,1-4H3;3-10H,11H2,1-2H3/q8*+1.

What are the key properties of 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium?

1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium has a molecular weight of 2799.74 g/mol, XLogP of 41.32, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-bis(2,2-dimethylpropoxy)-2-methylphenyl]-2-methylisoquinolin-2-ium;1-(3,5-diethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;1-(3,5-dimethoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-bis(2-methylpropoxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-diphenoxyphenyl)isoquinolin-2-ium;2-methyl-1-[2-methyl-3,5-di(propan-2-yloxy)phenyl]isoquinolin-2-ium;2-methyl-1-(2-methyl-3,5-dipropoxyphenyl)isoquinolin-2-ium is sourced from PubChem (CID 158379427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).