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

Systemtic Name: 5-(2,2-dimethylpropyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Openeye Name: 5-(2,2-dimethylpropyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride CAS Name: 5-(2,2-dimethylpropyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride IUPAC Name: 5-(2,2-dimethylpropyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Traditional Name: 7-methyl-5-neopentyl-[1,3]dioxol[4,5-g]isoquinolin-6-ium chloride Formula: C16H20ClNO2 MolecularWeight: 293.7885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C=C2C(=[NH+]1)CC(C)(C)C)OCO3.[Cl-]

Isomeric SMILES

CC1=CC2=CC3=C(C=C2C(=[NH+]1)CC(C)(C)C)OCO3.[Cl-]

InChI

InChI=1S/C16H19NO2.ClH/c1-10-5-11-6-14-15(19-9-18-14)7-12(11)13(17-10)8-16(2,3)4;/h5-7H,8-9H2,1-4H3;1H