1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride

HCID 28170

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Basic information

CAS: 16974-18-8
Standard SMILES: CCC(C)(C)c1[nH+]c(C)cc2cc3c(cc12)OCO3.[Cl-]
InChIKey: RZFDOSLBCYWZTB-UHFFFAOYSA-N
Molecular formula: C16H20ClNO2
Average molar mass: 293.79 g/mol
Monoisotopic mass: 293.1182566

Names & identifiers

Preferred name: 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-tert-pentyl-, hydrochloride
IUPAC: 7-methyl-5-(2-methylbutan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

Names & synonyms

7-Methyl-5-tert-pentyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 7-METHYL-5-tert-PENTYL-, HYDROCHLORIDE16974-18-8RefChem:219040

Database identifiers

CAS: 16974-18-8
PubChem CID: 28170

Properties

Computed structural properties

Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 331

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