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

Systemtic Name: 3-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[(1S)-1-ammonio-3-(methylthio)propyl]-1-benzimidazolyl]propyl-dimethylammonium IUPAC Name: 3-[2-[(1S)-1-azaniumyl-3-methylsulfanylpropyl]benzimidazol-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-[(1S)-1-ammonio-3-(methylthio)propyl]benzimidazol-1-yl]propyl-dimethyl-ammonium Formula: C16H28N4S+2 MolecularWeight: 308.48532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2N=C1C(CCSC)[NH3+]

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2N=C1[C@H](CCSC)[NH3+]

InChI

InChI=1S/C16H26N4S/c1-19(2)10-6-11-20-15-8-5-4-7-14(15)18-16(20)13(17)9-12-21-3/h4-5,7-8,13H,6,9-12,17H2,1-3H3/p+2/t13-/m0/s1