2-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]azaniumyl]ethanoate

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]azaniumyl]ethanoate Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[(1S)-1-methylpropyl]ammonio]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]ammonio]acetate IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]azaniumyl]acetate Traditional Name: 2-[[(1S)-1-methylpropyl]-piperonyl-ammonio]acetate Formula: C14H19NO4 MolecularWeight: 265.30496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)[O-]

Isomeric SMILES

CC[C@H](C)[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)[O-]

InChI

InChI=1S/C14H19NO4/c1-3-10(2)15(8-14(16)17)7-11-4-5-12-13(6-11)19-9-18-12/h4-6,10H,3,7-9H2,1-2H3,(H,16,17)/t10-/m0/s1