3-[2-[1-[5-(dimethylazaniumyl)-2-oxidanylidene-pentyl]benzimidazol-2-yl]sulfanylethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[1-[5-(dimethylazaniumyl)-2-oxidanylidene-pentyl]benzimidazol-2-yl]sulfanylethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[1-[5-(dimethylammonio)-2-oxo-pentyl]benzimidazol-2-yl]sulfanylacetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[[1-[5-(dimethylammonio)-2-oxopentyl]-2-benzimidazolyl]thio]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[1-[5-(dimethylazaniumyl)-2-oxopentyl]benzimidazol-2-yl]sulfanylacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[[1-[5-(dimethylammonio)-2-keto-pentyl]benzimidazol-2-yl]thio]acetyl]amino]propyl-dimethyl-ammonium Formula: C21H35N5O2S+2 MolecularWeight: 421.5999

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)NCCC[NH+](C)C

Isomeric SMILES

C[NH+](C)CCCC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C21H33N5O2S/c1-24(2)13-7-9-17(27)15-26-19-11-6-5-10-18(19)23-21(26)29-16-20(28)22-12-8-14-25(3)4/h5-6,10-11H,7-9,12-16H2,1-4H3,(H,22,28)/p+2