1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]-methyl-piperonyl-ammonium Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-9(13(18)16-14(19)15-2)17(3)7-10-4-5-11-12(6-10)21-8-20-11/h4-6,9H,7-8H2,1-3H3,(H2,15,16,18,19)/p+1/t9-/m1/s1