(2-Benzoyloxycyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium

HCID 34098

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Basic information

Standard SMILES: C[N+](C)(CC1CCCCC1OC(=O)c1ccccc1)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CC3CCCCC3OC(=O)c3ccccc3)cc2)cc1
InChIKey: SGPLRXZXIFXQDG-UHFFFAOYSA-N
Molecular formula: C48H58N2O6+2
Average molar mass: 759 g/mol
Monoisotopic mass: 758.42948757

Names & identifiers

Preferred name: (2-Benzoyloxycyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium
IUPAC: (2-benzoyloxycyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium

Names & synonyms

DTXSID101384214(2-benzoyloxycyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium

Database identifiers

PubChem CID: 34098
DTXSID: DTXSID101384214

Properties

Computed structural properties

XLogP: 9.5
Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 15
Heavy atoms: 56
Formal charge: 2
Complexity: 1,190

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