Ammonium, (2-chloroethyl)ethylmethyl(naphthylmethyl)-, methyl sulfate

HCID 50843

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Basic information

CAS: 69781-88-0
Standard SMILES: CC[N+](C)(CCCl)Cc1cccc2ccccc12.O=S(=O)([O-])O
InChIKey: DODAINIGKXVPDD-UHFFFAOYSA-M
Molecular formula: C16H22ClNO4S
Average molar mass: 359.9 g/mol
Monoisotopic mass: 359.0958071

Names & identifiers

Preferred name: Ammonium, (2-chloroethyl)ethylmethyl(naphthylmethyl)-, methyl sulfate
IUPAC: 2-chloroethyl-ethyl-methyl-(naphthalen-1-ylmethyl)azanium;hydrogen sulfate

Names & synonyms

(2-Chloroethyl)ethylmethyl(naphthylmethyl)ammonium methyl sulfate69781-88-0AMMONIUM, (2-CHLOROETHYL)ETHYLMETHYL(NAPHTHYLMETHYL)-, METHYL SULFATERefChem:318788DTXSID409900122-Chloro-N-ethyl-N-methyl-N-[(naphthalen-1-yl)methyl]ethan-1-aminium hydrogen sulfate

Database identifiers

CAS: 69781-88-0
PubChem CID: 50843
DTXSID: DTXSID40990012

Properties

Computed structural properties

Topological polar surface area: 85.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 331

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