methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium

C18H19NO4S — CID 10712545

IUPACmethanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium
SMILESCOc1ccc2cc(-c3cc[n+](C)cc3)ccc2c1.CS(=O)(=O)[O-]
InChIInChI=1S/C17H16NO.CH4O3S/c1-18-9-7-13(8-10-18)14-3-4-16-12-17(19-2)6-5-15(16)11-14;1-5(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeySLIZDYAEGDJLAJ-UHFFFAOYSA-M
MW345.42 g/mol
LogP2.50
Rot. Bonds2

About methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium

methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium (PubChem CID 10712545) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Namemethanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium
PubChem CID10712545
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Namemethanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium
SMILESCOc1ccc2cc(-c3cc[n+](C)cc3)ccc2c1.CS(=O)(=O)[O-]
InChIInChI=1S/C17H16NO.CH4O3S/c1-18-9-7-13(8-10-18)14-3-4-16-12-17(19-2)6-5-15(16)11-14;1-5(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeySLIZDYAEGDJLAJ-UHFFFAOYSA-M
XLogP2.50
TPSA70.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
2-methoxy-6-phenylnaphthalene
CID 11253308
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium
CID 23312199
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
methyl 4-(7-methoxy-1-oxidoquinolin-1-ium-3-yl)benzoate
CID 67974256
4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium iodide
CID 23312198
7-methoxy-3-(4-methoxyphenyl)-2-oxidoisoquinolin-2-ium
CID 70141686

Frequently Asked Questions

What is the IUPAC name of methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium?
The IUPAC name of methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium (CID 10712545) is methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium.
What is the SMILES notation for methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium?
The canonical SMILES for methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium is COc1ccc2cc(-c3cc[n+](C)cc3)ccc2c1.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium?
The InChIKey is SLIZDYAEGDJLAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16NO.CH4O3S/c1-18-9-7-13(8-10-18)14-3-4-16-12-17(19-2)6-5-15(16)11-14;1-5(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1.
What are the key properties of methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium?
methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium has a molecular weight of 345.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 10712545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).