[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(1R)-1-methylolpropyl]ammonium Formula: C13H20NO3+ MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]C(C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-3-11(7-15)14-9(2)10-4-5-12-13(6-10)17-8-16-12/h4-6,9,11,14-15H,3,7-8H2,1-2H3/p+1/t9-,11-/m1/s1