1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(isobutylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium Traditional Name: [2-(isobutylcarbamoylamino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-11(2)7-17-16(21)18-15(20)9-19(3)8-12-4-5-13-14(6-12)23-10-22-13/h4-6,11H,7-10H2,1-3H3,(H2,17,18,20,21)/p+1