[(1R)-1-(1-hexylbenzimidazol-2-yl)-3-methylsulfanyl-propyl]azanium

Systemtic Name: [(1R)-1-(1-hexylbenzimidazol-2-yl)-3-methylsulfanyl-propyl]azanium Openeye Name: [(1R)-1-(1-hexylbenzimidazol-2-yl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(1R)-1-(1-hexyl-2-benzimidazolyl)-3-(methylthio)propyl]ammonium IUPAC Name: [(1R)-1-(1-hexylbenzimidazol-2-yl)-3-methylsulfanylpropyl]azanium Traditional Name: [(1R)-1-(1-hexylbenzimidazol-2-yl)-3-(methylthio)propyl]ammonium Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1C(CCSC)[NH3+]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1[C@@H](CCSC)[NH3+]

InChI

InChI=1S/C17H27N3S/c1-3-4-5-8-12-20-16-10-7-6-9-15(16)19-17(20)14(18)11-13-21-2/h6-7,9-10,14H,3-5,8,11-13,18H2,1-2H3/p+1/t14-/m1/s1