6,7-dimethyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

Systemtic Name: 6,7-dimethyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Openeye Name: 5-(1,1-dimethylpentyl)-6,7-dimethyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride CAS Name: 6,7-dimethyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride IUPAC Name: 6,7-dimethyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Traditional Name: 5-(1,1-dimethylpentyl)-6,7-dimethyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium chloride Formula: C19H30ClNO2 MolecularWeight: 339.9

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1C2=CC3=C(C=C2CC([NH+]1C)C)OCO3.[Cl-]

Isomeric SMILES

CCCCC(C)(C)C1C2=CC3=C(C=C2CC([NH+]1C)C)OCO3.[Cl-]

InChI

InChI=1S/C19H29NO2.ClH/c1-6-7-8-19(3,4)18-15-11-17-16(21-12-22-17)10-14(15)9-13(2)20(18)5;/h10-11,13,18H,6-9,12H2,1-5H3;1H