6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3S,5S)-3,5-dimethyl-1-piperidyl]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-N-ethyl-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-ethyl-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[(3S,5S)-3,5-dimethylpiperidino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC(CC(C3)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3C[C@H](C[C@@H](C3)C)C

InChI

InChI=1S/C20H27N3O2S/c1-4-23(18-8-6-5-7-9-18)26(24,25)19-10-11-20(21-13-19)22-14-16(2)12-17(3)15-22/h5-11,13,16-17H,4,12,14-15H2,1-3H3/p+1/t16-,17-/m0/s1