(2R,6S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2,6-dimethyl-piperidin-1-ium

Systemtic Name: (2R,6S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2,6-dimethyl-piperidin-1-ium Openeye Name: (2R,6S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2,6-dimethyl-piperidin-1-ium CAS Name: (2R,6S)-1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-2,6-dimethylpiperidin-1-ium IUPAC Name: (2R,6S)-1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-2,6-dimethylpiperidin-1-ium Traditional Name: (2R,6S)-1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-2,6-dimethyl-piperidin-1-ium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3C(CCCC3C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3[C@@H](CCC[C@@H]3C)C

InChI

InChI=1S/C21H31N3O2S/c1-4-27(25,26)21-22-15-20(16-24-17(2)9-8-10-18(24)3)23(21)14-13-19-11-6-5-7-12-19/h5-7,11-12,15,17-18H,4,8-10,13-14,16H2,1-3H3/p+1/t17-,18+