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

Systemtic Name: [4-oxidanylidene-4-[[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]amino]butyl]azanium Openeye Name: [4-oxo-4-[[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]amino]butyl]ammonium CAS Name: [4-oxo-4-[[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]amino]butyl]ammonium IUPAC Name: [4-oxo-4-[[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]amino]butyl]azanium Traditional Name: [4-keto-4-[[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]amino]butyl]ammonium Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC2=NN=C(S2)NC(=O)CCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)OCCCC2=NN=C(S2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C15H20N4O2S/c16-10-4-8-13(20)17-15-19-18-14(22-15)9-5-11-21-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,16H2,(H,17,19,20)/p+1