Isoquinoline, N-methyl-6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride

HCID 45536

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Basic information

CAS: 63937-90-6
Standard SMILES: CCOc1cc2c(cc1OCC)C[NH+](C)CC2.[Cl-]
InChIKey: IALIXCGEEPGZRS-UHFFFAOYSA-N
Molecular formula: C14H22ClNO2
Average molar mass: 271.78 g/mol
Monoisotopic mass: 271.1339066

Names & identifiers

Preferred name: Isoquinoline, N-methyl-6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride
IUPAC: 6,7-diethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Names & synonyms

ISOQUINOLINE, N-METHYL-6,7-DIETHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE63937-90-6RefChem:1087783N-Methyl-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Database identifiers

CAS: 63937-90-6
PubChem CID: 45536

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 234

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