[(1S)-1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-3-methylsulfanyl-propyl]azanium

Systemtic Name: [(1S)-1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-3-methylsulfanyl-propyl]azanium Openeye Name: [(1S)-1-[1-(2-methylallyl)benzimidazol-2-yl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(1S)-1-[1-(2-methylprop-2-enyl)-2-benzimidazolyl]-3-(methylthio)propyl]ammonium IUPAC Name: [(1S)-1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [(1S)-1-[1-(2-methylallyl)benzimidazol-2-yl]-3-(methylthio)propyl]ammonium Formula: C15H22N3S+ MolecularWeight: 276.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=CC=CC=C2N=C1C(CCSC)[NH3+]

Isomeric SMILES

CC(=C)CN1C2=CC=CC=C2N=C1[C@H](CCSC)[NH3+]

InChI

InChI=1S/C15H21N3S/c1-11(2)10-18-14-7-5-4-6-13(14)17-15(18)12(16)8-9-19-3/h4-7,12H,1,8-10,16H2,2-3H3/p+1/t12-/m0/s1