7-methyl-5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

Systemtic Name: 7-methyl-5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Openeye Name: 5-(1,1-dimethylpentyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride CAS Name: 7-methyl-5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride IUPAC Name: 7-methyl-5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Traditional Name: 5-(1,1-dimethylpentyl)-7-methyl-[1,3]dioxol[4,5-g]isoquinolin-6-ium chloride Formula: C18H24ClNO2 MolecularWeight: 321.84166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=[NH+]C(=CC2=CC3=C(C=C21)OCO3)C.[Cl-]

Isomeric SMILES

CCCCC(C)(C)C1=[NH+]C(=CC2=CC3=C(C=C21)OCO3)C.[Cl-]

InChI

InChI=1S/C18H23NO2.ClH/c1-5-6-7-18(3,4)17-14-10-16-15(20-11-21-16)9-13(14)8-12(2)19-17;/h8-10H,5-7,11H2,1-4H3;1H