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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [(1R)-1-methylolpropyl]-piperonyl-ammonium Formula: C12H18NO3+ MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H17NO3/c1-2-10(7-14)13-6-9-3-4-11-12(5-9)16-8-15-11/h3-5,10,13-14H,2,6-8H2,1H3/p+1/t10-/m1/s1