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

Systemtic Name: (2R,3S)-2-ethyl-3,5-dimethyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium Openeye Name: (2R,3S)-1-benzyl-2-ethyl-3,5-dimethyl-2,3-dihydropyridin-1-ium CAS Name: (2R,3S)-2-ethyl-3,5-dimethyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium IUPAC Name: (2R,3S)-1-benzyl-2-ethyl-3,5-dimethyl-2,3-dihydropyridin-1-ium Traditional Name: (2R,3S)-1-benzyl-2-ethyl-3,5-dimethyl-2,3-dihydropyridin-1-ium Formula: C16H22N+ MolecularWeight: 228.35258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N/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/q+1/t14-,16+/m0/s1