4-(2-Amidino-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-(pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
Basic information
- Standard SMILES
Cl.N=C(N)N1CCc2ccc(OCC3(C(=O)O)CCN(c4ccncc4)CC3)cc2C1- InChIKey
GRALRLHZTWQVGC-UHFFFAOYSA-N- Molecular formula
- C22H28ClN5O3
- Average molar mass
- 445.9 g/mol
Names & identifiers
- Preferred name
- 4-(2-Amidino-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-(pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
- IUPAC
- 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid;hydrochloride
Names & synonyms
SCHEMBL6189222GRALRLHZTWQVGC-UHFFFAOYSA-N4-(2-amidino-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-(pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
Database identifiers
- PubChem CID
- 69697265
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 616
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Related reactions
1 records
Compound notes
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