3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-methylbutanoyl)amino]propylazanium

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-methylbutanoyl)amino]propylazanium Openeye Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-methylbutanoyl)amino]propylammonium CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methyl-1-oxobutyl)amino]propylammonium IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-methylbutanoyl)amino]propylazanium Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(isovaleryl)amino]propylammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCC[NH3+])C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)CC(=O)N(CCC[NH3+])C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H24N2O3/c1-12(2)10-16(19)18(7-3-6-17)13-4-5-14-15(11-13)21-9-8-20-14/h4-5,11-12H,3,6-10,17H2,1-2H3/p+1