[(1R)-1-[5-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-[5-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1R)-1-[4-benzyl-5-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1R)-1-[5-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1R)-1-[4-benzyl-5-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1R)-1-[4-benzyl-5-[[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C24H32N5O2S+ MolecularWeight: 454.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C)OC)[NH+](C)C

Isomeric SMILES

CC[C@H](C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C)OC)[NH+](C)C

InChI

InChI=1S/C24H31N5O2S/c1-6-20(28(3)4)23-26-27-24(29(23)15-18-10-8-7-9-11-18)32-16-22(30)25-19-14-17(2)12-13-21(19)31-5/h7-14,20H,6,15-16H2,1-5H3,(H,25,30)/p+1/t20-/m1/s1