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

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-1,2-dioxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-acetyl]amino]ethyl-dimethyl-ammonium Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c1-16(2)6-5-14-12(17)13(18)15-9-3-4-10-11(7-9)20-8-19-10/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)(H,15,18)/p+1