[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-(piperonylcarbamoyl)propyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C13H18N2O3/c1-8(2)12(14)13(16)15-6-9-3-4-10-11(5-9)18-7-17-10/h3-5,8,12H,6-7,14H2,1-2H3,(H,15,16)/p+1/t12-/m0/s1