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

Systemtic Name: 5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Openeye Name: 5-(1,1-dimethylpentyl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride CAS Name: 5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride IUPAC Name: 5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Traditional Name: 5-(1,1-dimethylpentyl)-[1,3]dioxol[4,5-g]isoquinolin-6-ium chloride Formula: C17H22ClNO2 MolecularWeight: 307.81508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2.ClH/c1-4-5-7-17(2,3)16-13-10-15-14(19-11-20-15)9-12(13)6-8-18-16;/h6,8-10H,4-5,7,11H2,1-3H3;1H