[4-oxidanylidene-4-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]butyl]azanium

Systemtic Name: [4-oxidanylidene-4-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]butyl]azanium Openeye Name: [4-oxo-4-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]butyl]ammonium CAS Name: [4-oxo-4-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]butyl]ammonium IUPAC Name: [4-oxo-4-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]butyl]azanium Traditional Name: [4-keto-4-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]butyl]ammonium Formula: C13H17N4O2S+ MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)CCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C13H16N4O2S/c14-8-4-7-11(18)15-13-17-16-12(20-13)9-19-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2,(H,15,17,18)/p+1