(3S)-3-[4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine

Systemtic Name: (3S)-3-[4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine Openeye Name: (3S)-3-[4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine CAS Name: (3S)-3-[4-ethyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine IUPAC Name: (3S)-3-[4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine Traditional Name: (3S)-3-[4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]-1-mesyl-piperidine Formula: C16H30N5O2S2+ MolecularWeight: 388.5717

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCC2)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCC2)[C@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C16H29N5O2S2/c1-3-21-15(14-7-6-10-20(13-14)25(2,22)23)17-18-16(21)24-12-11-19-8-4-5-9-19/h14H,3-13H2,1-2H3/p+1/t14-/m0/s1