[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H21N2S2+ MolecularWeight: 329.50274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH+](C)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)[NH+](C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H20N2S2/c1-13(18-19-16-6-4-5-7-17(16)22-18)20(2)12-14-8-10-15(21-3)11-9-14/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1