[(1S)-3-methylsulfanyl-1-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propyl]azanium

Systemtic Name: [(1S)-3-methylsulfanyl-1-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propyl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propyl]ammonium CAS Name: [(1S)-3-(methylthio)-1-[1-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-benzimidazolyl]propyl]ammonium IUPAC Name: [(1S)-3-methylsulfanyl-1-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propyl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propyl]ammonium Formula: C17H28N4S+2 MolecularWeight: 320.49602

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CC[NH+]3CCCC3)[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CC[NH+]3CCCC3)[NH3+]

InChI

InChI=1S/C17H26N4S/c1-22-13-8-14(18)17-19-15-6-2-3-7-16(15)21(17)12-11-20-9-4-5-10-20/h2-3,6-7,14H,4-5,8-13,18H2,1H3/p+2/t14-/m0/s1