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

Systemtic Name: dimethyl-[(1R)-1-[5-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]azanium Openeye Name: [(1R)-1-[4-benzyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-1-[5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]ammonium IUPAC Name: [(1R)-1-[4-benzyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1R)-1-[4-benzyl-5-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C22H26N7OS+ MolecularWeight: 436.55314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4N=N3)[NH+](C)C

Isomeric SMILES

CC[C@H](C1=NN=C(N1CC2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4N=N3)[NH+](C)C

InChI

InChI=1S/C22H25N7OS/c1-4-19(27(2)3)20-24-25-22(28(20)14-16-10-6-5-7-11-16)31-15-29-21(30)17-12-8-9-13-18(17)23-26-29/h5-13,19H,4,14-15H2,1-3H3/p+1/t19-/m1/s1