1-[(3S,4R)-3-ethyl-1-oxidanidyl-1-(phenylmethyl)piperidin-1-ium-4-yl]propan-2-one

Systemtic Name: 1-[(3S,4R)-3-ethyl-1-oxidanidyl-1-(phenylmethyl)piperidin-1-ium-4-yl]propan-2-one Openeye Name: 1-[(3S,4R)-1-benzyl-3-ethyl-1-oxido-piperidin-1-ium-4-yl]propan-2-one CAS Name: 1-[(3S,4R)-3-ethyl-1-oxido-1-(phenylmethyl)-4-piperidin-1-iumyl]-2-propanone IUPAC Name: 1-[(3S,4R)-1-benzyl-3-ethyl-1-oxidopiperidin-1-ium-4-yl]propan-2-one Traditional Name: 1-[(3S,4R)-1-benzyl-3-ethyl-1-oxido-piperidin-1-ium-4-yl]acetone Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[N+](CCC1CC(=O)C)(CC2=CC=CC=C2)[O-]

Isomeric SMILES

CC[C@@H]1C[N+](CC[C@@H]1CC(=O)C)(CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C17H25NO2/c1-3-16-13-18(20,10-9-17(16)11-14(2)19)12-15-7-5-4-6-8-15/h4-8,16-17H,3,9-13H2,1-2H3/t16-,17-,18?/m1/s1