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

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]ammonio]propyl-dimethyl-ammonium Formula: C14H23N3O3+2 MolecularWeight: 281.35072

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H21N3O3/c1-17(2)7-3-6-15-9-14(18)16-11-4-5-12-13(8-11)20-10-19-12/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,16,18)/p+2