[1-[(6-azanyl-1,3-benzodioxol-5-yl)oxy]-3-ethyl-pentan-3-yl]azanium; methyl sulfate

Systemtic Name: [1-[(6-azanyl-1,3-benzodioxol-5-yl)oxy]-3-ethyl-pentan-3-yl]azanium; methyl sulfate Openeye Name: [3-[(6-amino-1,3-benzodioxol-5-yl)oxy]-1,1-diethyl-propyl]ammonium; methyl sulfate CAS Name: [1-[(6-amino-1,3-benzodioxol-5-yl)oxy]-3-ethylpentan-3-yl]ammonium; methyl sulfate IUPAC Name: [1-[(6-amino-1,3-benzodioxol-5-yl)oxy]-3-ethylpentan-3-yl]azanium; methyl sulfate Traditional Name: [3-[(6-amino-1,3-benzodioxol-5-yl)oxy]-1,1-diethyl-propyl]ammonium; methyl sulfate Formula: C15H26N2O7S MolecularWeight: 378.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCOC1=CC2=C(C=C1N)OCO2)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC)(CCOC1=CC2=C(C=C1N)OCO2)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C14H22N2O3.CH4O4S/c1-3-14(16,4-2)5-6-17-11-8-13-12(7-10(11)15)18-9-19-13;1-5-6(2,3)4/h7-8H,3-6,9,15-16H2,1-2H3;1H3,(H,2,3,4)