[(1R)-1-[5-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-[5-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1R)-1-[5-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-4-benzyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1R)-1-[5-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1R)-1-[5-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-benzyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1R)-1-[5-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-4-benzyl-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)C3=C(C(=C(N3)C)C(=O)C)C)[NH+](C)C

Isomeric SMILES

CC[C@H](C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C)[NH+](C)C

InChI

InChI=1S/C24H31N5O2S/c1-7-19(28(5)6)23-26-27-24(29(23)13-18-11-9-8-10-12-18)32-14-20(31)22-15(2)21(17(4)30)16(3)25-22/h8-12,19,25H,7,13-14H2,1-6H3/p+1/t19-/m1/s1