Carbanilic acid, m-(pentyloxy)-, 1-methyl-2-piperidinoethyl ester, monohydrochloride
Basic information
- CAS
40712-75-2- Standard SMILES
CCCCCOc1cccc(NC(=O)OC(C)C[NH+]2CCCCC2)c1.[Cl-]- InChIKey
ZNDNYLZBCQNOQX-UHFFFAOYSA-N- Molecular formula
- C20H33ClN2O3
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.2179706
Names & identifiers
- Preferred name
- Carbanilic acid, m-(pentyloxy)-, 1-methyl-2-piperidinoethyl ester, monohydrochloride
- IUPAC
- 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-pentoxyphenyl)carbamate chloride
Names & synonyms
m-(Pentyloxy)carbanilic acid 1-methyl-2-piperidinoethyl ester monohydrochlorideCarbanilic acid, m-(pentyloxy)-, 1-methyl-2-piperidinoethyl ester, monohydrochloride40712-75-2RefChem:333023
Database identifiers
- CAS
40712-75-2- PubChem CID
- 38630
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 372
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Compound notes
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