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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)18-15(21)17-14(20)9-19(4)8-11-5-6-12-13(7-11)23-10-22-12/h5-7H,8-10H2,1-4H3,(H2,17,18,20,21)/p+1