2-[2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-[3-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium chloride

HCID 166502

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Basic information

CAS: 78181-99-4
Standard SMILES: CCN(CC)c1ccc(C=C(C#N)C(=O)OCCC[N+](C)(C)CCOC(=O)C(C#N)=Cc2ccc(N(CC)CC)cc2)cc1.[Cl-]
InChIKey: DLNMMVNCTSAPOW-UHFFFAOYSA-M
Molecular formula: C35H46ClN5O4
Average molar mass: 636.2 g/mol
Monoisotopic mass: 635.3238327

Overview

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Names & identifiers

Preferred name: 2-[2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-[3-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium chloride
IUPAC: 2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-[3-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium chloride

Names & synonyms

78181-99-4DTXSID30888535DLNMMVNCTSAPOW-UHFFFAOYSA-M3-({2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}oxy)-N-[2-({2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}oxy)ethyl]-N,N-dimethylpropan-1-aminium chloride

Database identifiers

CAS: 78181-99-4
PubChem CID: 166502
DTXSID: DTXSID30888535

Properties

Computed structural properties

Topological polar surface area: 107 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 19
Heavy atoms: 45
Formal charge: 0
Complexity: 1,060

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