3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-keto-2-(piperonylamino)acetyl]amino]propyl-dimethyl-ammonium Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H21N3O4/c1-18(2)7-3-6-16-14(19)15(20)17-9-11-4-5-12-13(8-11)22-10-21-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,16,19)(H,17,20)/p+1