N,N-Diethyl-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-2-benzopyran-1-aminium chloride

Substructure search Find similar structures

Basic information

CAS: 70070-10-9
Standard SMILES: CC[N+](C)(CC)C1OCCc2cc(OC)c(OC)cc21.[Cl-]
InChIKey: IXUGEDCXRIBDPY-UHFFFAOYSA-M
Molecular formula: C16H26ClNO3
Average molar mass: 315.83 g/mol
Monoisotopic mass: 315.1601214

Names & identifiers

Preferred name: N,N-Diethyl-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-2-benzopyran-1-aminium chloride
IUPAC: (6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)-diethyl-methylazanium chloride

Names & synonyms

70070-10-9DTXSID60990317N,N-Diethyl-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-2-benzopyran-1-aminium chlorideRefChem:1090473DTXCID2014174201H-2-Benzopyran-1-methanamine, N,N-diethyl-3,4-dihydro-6,7-dimethoxy-, hydrochlorideN,N-Diethyl-3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-methanamine hydrochloride

Database identifiers

CAS: 70070-10-9
PubChem CID: 50967
DTXSID: DTXSID60990317

Properties

Computed structural properties

Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 306

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…