3-[[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]amino]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]amino]propyl-dimethyl-azanium chloride Openeye Name: 3-[[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]amino]propyl-dimethyl-ammonium chloride CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]amino]propyl-dimethylammonium chloride IUPAC Name: 3-[[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]amino]propyl-dimethylazanium chloride Traditional Name: 3-[[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]amino]propyl-dimethyl-ammonium chloride Formula: C20H35ClN2O2 MolecularWeight: 370.9571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCNCCC[NH+](C)C)C1=CC2=C(C=C1)OCO2.[Cl-]

Isomeric SMILES

CC(C)CCC(CCNCCC[NH+](C)C)C1=CC2=C(C=C1)OCO2.[Cl-]

InChI

InChI=1S/C20H34N2O2.ClH/c1-16(2)6-7-17(10-12-21-11-5-13-22(3)4)18-8-9-19-20(14-18)24-15-23-19;/h8-9,14,16-17,21H,5-7,10-13,15H2,1-4H3;1H