1-(Piperidin-1-yl)propan-2-yl hydrogen (3-propoxyphenyl)carbonimidate--hydrogen chloride (1/1)
Basic information
- CAS
40712-74-1- Standard SMILES
CCCOc1cccc(NC(=O)OC(C)C[NH+]2CCCCC2)c1.[Cl-]- InChIKey
CMKBOCLKRYUFSI-UHFFFAOYSA-N- Molecular formula
- C18H29ClN2O3
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.1866705
Names & identifiers
- Preferred name
- 1-(Piperidin-1-yl)propan-2-yl hydrogen (3-propoxyphenyl)carbonimidate--hydrogen chloride (1/1)
- IUPAC
- 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-propoxyphenyl)carbamate chloride
Names & synonyms
40712-74-1DTXSID109611181-(Piperidin-1-yl)propan-2-yl hydrogen (3-propoxyphenyl)carbonimidate--hydrogen chloride (1/1)RefChem:1054753DTXCID201388952(3-Propoxyphenyl)carbamic acid 1-methyl-2-(1-piperidinyl)ethyl ester hydrochloridem-Propoxycarbanilic acid 1-methyl-2-piperidinoethyl ester monohydrochlorideCarbamic acid, (3-propoxyphenyl)-, 1-methyl-2-(1-piperidinyl)ethyl ester, monohydrochloride
Database identifiers
- CAS
40712-74-1- PubChem CID
- 38628
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 345
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Compound notes
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