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

Systemtic Name: [(1S)-3-methylsulfanyl-1-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]propyl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]propyl]ammonium CAS Name: [(1S)-3-(methylthio)-1-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]propyl]ammonium IUPAC Name: [(1S)-3-methylsulfanyl-1-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]propyl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]propyl]ammonium Formula: C18H30N4S+2 MolecularWeight: 334.5226

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CC[NH+]3CCCCC3)[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CC[NH+]3CCCCC3)[NH3+]

InChI

InChI=1S/C18H28N4S/c1-23-14-9-15(19)18-20-16-7-3-4-8-17(16)22(18)13-12-21-10-5-2-6-11-21/h3-4,7-8,15H,2,5-6,9-14,19H2,1H3/p+2/t15-/m0/s1