3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]ammonio]propyl-diethyl-ammonium CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]ammonio]propyl-diethylammonium IUPAC Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]azaniumyl]propyl-diethylazanium Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]ammonio]propyl-diethyl-ammonium Formula: C17H29N3O3+2 MolecularWeight: 323.43046

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC(=O)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC(=O)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H27N3O3/c1-3-20(4-2)9-5-8-18-13-17(21)19-14-6-7-15-16(12-14)23-11-10-22-15/h6-7,12,18H,3-5,8-11,13H2,1-2H3,(H,19,21)/p+2