hydrogen sulfate; 2-[1-methyl-6-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-2-yl]-1-phenyl-ethanone

Systemtic Name: hydrogen sulfate; 2-[1-methyl-6-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-2-yl]-1-phenyl-ethanone Openeye Name: hydrogen sulfate; 2-[6-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-methyl-piperidin-1-ium-2-yl]-1-phenyl-ethanone CAS Name: hydrogen sulfate; 2-[6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidin-1-iumyl]-1-phenylethanone IUPAC Name: hydrogen sulfate; 2-[6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-1-ium-2-yl]-1-phenylethanone Traditional Name: 2-[6-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-methyl-piperidin-1-ium-2-yl]-1-phenyl-ethanone bisulfate Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.OS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1C(CCCC1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C22H27NO2.H2O4S/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;1-5(2,3)4/h2-7,9-12,19-21,24H,8,13-16H2,1H3;(H2,1,2,3,4)/t19?,20?,21-;/m0./s1