[(1S)-1-[4-butyl-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-[4-butyl-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[5-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[5-[[2-(benzylamino)-2-keto-ethyl]thio]-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C20H32N5OS+ MolecularWeight: 390.56598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C20H31N5OS/c1-5-7-13-25-19(17(6-2)24(3)4)22-23-20(25)27-15-18(26)21-14-16-11-9-8-10-12-16/h8-12,17H,5-7,13-15H2,1-4H3,(H,21,26)/p+1/t17-/m0/s1