(Z)-but-2-enedioic acid;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
Basic information
- CAS
866099-93-6- Standard SMILES
CN(C)CCC(c1ccccc1)c1ccccn1.Cl.O=C(O)/C=C\C(=O)O.c1ccc2c(CC3=NCCN3)cccc2c1- InChIKey
DJJKIOFZVNCAJT-KWZUVTIDSA-N- Molecular formula
- C34H39ClN4O4
- Average molar mass
- 603.1 g/mol
- Monoisotopic mass
- 602.2659834
Names & identifiers
- Preferred name
- (Z)-but-2-enedioic acid;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
- IUPAC
- (Z)-but-2-enedioic acid;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
Database identifiers
- CAS
866099-93-6- PubChem CID
- 5282477
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 612
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Compound notes
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