[(3R)-1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3R)-1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R)-1-(4-acetylphenyl)sulfonyl-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R)-1-(4-acetylphenyl)sulfonyl-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R)-1-(4-acetylphenyl)sulfonyl-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H27N3O3S/c1-17(25)18-8-10-21(11-9-18)28(26,27)24-14-5-7-20(16-24)23(2)15-12-19-6-3-4-13-22-19/h3-4,6,8-11,13,20H,5,7,12,14-16H2,1-2H3/p+1/t20-/m1/s1