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

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-acetyl]amino]propyl-dimethyl-ammonium Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C(=O)NC1=CC2=C(C=C1)OCO2

InChI

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