1-[[1-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3-triazol-4-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[1-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3-triazol-4-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-[[(3R)-1-methylsulfonyl-3-piperidyl]methyl]triazol-4-yl]methyl]azepan-1-ium CAS Name: 1-[[1-[[(3R)-1-methylsulfonyl-3-piperidinyl]methyl]-4-triazolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]triazol-4-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-[[(3R)-1-mesyl-3-piperidyl]methyl]triazol-4-yl]methyl]azepan-1-ium Formula: C16H30N5O2S+ MolecularWeight: 356.5067

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)CN2C=C(N=N2)C[NH+]3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)CN2C=C(N=N2)C[NH+]3CCCCCC3

InChI

InChI=1S/C16H29N5O2S/c1-24(22,23)21-10-6-7-15(12-21)11-20-14-16(17-18-20)13-19-8-4-2-3-5-9-19/h14-15H,2-13H2,1H3/p+1/t15-/m1/s1