dimethyl-[(1R)-1-[5-phenacylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]azanium

Systemtic Name: dimethyl-[(1R)-1-[5-phenacylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]azanium Openeye Name: [(1R)-1-(4-benzyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)propyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-1-[5-(phenacylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]ammonium IUPAC Name: [(1R)-1-(4-benzyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)propyl]-dimethylazanium Traditional Name: [(1R)-1-[4-benzyl-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-4-19(25(2)3)21-23-24-22(26(21)15-17-11-7-5-8-12-17)28-16-20(27)18-13-9-6-10-14-18/h5-14,19H,4,15-16H2,1-3H3/p+1/t19-/m1/s1