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Basic information
- CAS
75231-03-7- Standard SMILES
COc1cc(C(=O)OC2CCC[NH+](C(=N)N)C2)cc(OC)c1OC.[Cl-]- InChIKey
KFUOGBOPVYNZMD-UHFFFAOYSA-N- Molecular formula
- C16H24ClN3O5
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1404486
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride
- IUPAC
- (1-carbamimidoylpiperidin-1-ium-3-yl) 3,4,5-trimethoxybenzoate chloride
Names & synonyms
75231-03-7BENZOIC ACID, 3,4,5-TRIMETHOXY-, 1-AMIDINO-3-PIPERIDYL ESTER, MONOHYDROCHLORIDERefChem:10790033,4,5-Trimethoxybenzoic acid 1-amidino-3-piperidyl ester monohydrochloride
Database identifiers
- CAS
75231-03-7- PubChem CID
- 53203
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
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Compound notes
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