[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]-[(2S)-butan-2-yl]azanium

Systemtic Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]-[(2S)-butan-2-yl]azanium Openeye Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-[(2S)-butan-2-yl]ammonium IUPAC Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-[(2S)-butan-2-yl]azanium Traditional Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium Formula: C14H22NO4+ MolecularWeight: 268.32878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(COC1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

CC[C@H](C)[NH2+]C[C@@H](COC1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C14H21NO4/c1-3-10(2)15-7-11(16)8-17-12-4-5-13-14(6-12)19-9-18-13/h4-6,10-11,15-16H,3,7-9H2,1-2H3/p+1/t10-,11-/m0/s1