(2R,3S)-2-ethyl-3,5-dimethyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium chloride

Systemtic Name: (2R,3S)-2-ethyl-3,5-dimethyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium chloride Openeye Name: (2R,3S)-1-benzyl-2-ethyl-3,5-dimethyl-2,3-dihydropyridin-1-ium chloride CAS Name: (2R,3S)-2-ethyl-3,5-dimethyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium chloride IUPAC Name: (2R,3S)-1-benzyl-2-ethyl-3,5-dimethyl-2,3-dihydropyridin-1-ium chloride Traditional Name: (2R,3S)-1-benzyl-2-ethyl-3,5-dimethyl-2,3-dihydropyridin-1-ium chloride Formula: C16H22ClN MolecularWeight: 263.80558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=[N+]1CC2=CC=CC=C2)C)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C16H22N.ClH/c1-4-16-14(3)10-13(2)11-17(16)12-15-8-6-5-7-9-15;/h5-11,14,16H,4,12H2,1-3H3;1H/q+1;/p-1/t14-,16+;/m0./s1