Basic information
- CAS
57645-37-1- Standard SMILES
COc1cc([NH3+])ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1.[Cl-].[Cl-]- InChIKey
GUSCUQNRSKOYOW-UHFFFAOYSA-N- Molecular formula
- C20H27Cl2N3O2
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 411.1480325
Names & identifiers
- Preferred name
- 4-Amino-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1-carboximidic acid--hydrogen chloride (1/2)
- IUPAC
- [4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxyphenyl]azanium dichloride
Names & synonyms
57645-37-1DTXSID409732244-Amino-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1-carboximidic acid--hydrogen chloride (1/2)RefChem:1070302DTXCID701400680Benzamide, 4-amino-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-, dihydrochlorideN-(1'-Benzyl-4'-piperidyl)-2-methoxy-4-aminobenzamide dihydrochloride4-Amino-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)benzamide dihydrochloride
Database identifiers
- CAS
57645-37-1- PubChem CID
- 42495
Properties
Computed structural properties
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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