Cetyltrimethylammonium 3-aminosulfonyl-4-phenoxy-5-(1-pyrrolidinyl)benzoate

HCID 11628837
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.NS(=O)(=O)c1cc(C(=O)[O-])cc(N2CCCC2)c1Oc1ccccc1
InChIKey
NHGZDSVZKUAYSM-UHFFFAOYSA-M
Molecular formula
C36H59N3O5S
Average molar mass
645.9 g/mol
Monoisotopic mass
645.41754316

Names & identifiers

Preferred name
Cetyltrimethylammonium 3-aminosulfonyl-4-phenoxy-5-(1-pyrrolidinyl)benzoate
IUPAC
hexadecyl(trimethyl)azanium;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoate

Names & synonyms

SCHEMBL230591NHGZDSVZKUAYSM-UHFFFAOYSA-Mcetyltrimethylammonium 3-aminosulfonyl-4-phenoxy-5-(1-pyrrolidinyl)benzoate

Database identifiers

PubChem CID
11628837

Properties

Computed structural properties

Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
19
Heavy atoms
45

Related reactions

1 records
New reaction record

Linked notes

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