2-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(1S)-1-ammonio-3-(methylthio)propyl]-1-benzimidazolyl]ethyl-dimethylammonium IUPAC Name: 2-[2-[(1S)-1-azaniumyl-3-methylsulfanylpropyl]benzimidazol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-[(1S)-1-ammonio-3-(methylthio)propyl]benzimidazol-1-yl]ethyl-dimethyl-ammonium Formula: C15H26N4S+2 MolecularWeight: 294.45874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C2=CC=CC=C2N=C1C(CCSC)[NH3+]

Isomeric SMILES

C[NH+](C)CCN1C2=CC=CC=C2N=C1[C@H](CCSC)[NH3+]

InChI

InChI=1S/C15H24N4S/c1-18(2)9-10-19-14-7-5-4-6-13(14)17-15(19)12(16)8-11-20-3/h4-7,12H,8-11,16H2,1-3H3/p+2/t12-/m0/s1