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

Systemtic Name: (2S,6R)-2,6-dimethyl-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium Openeye Name: (2S,6R)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2,6-dimethyl-piperidin-1-ium CAS Name: (2S,6R)-2,6-dimethyl-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]piperidin-1-ium IUPAC Name: (2S,6R)-2,6-dimethyl-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperidin-1-ium Traditional Name: (2S,6R)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2,6-dimethyl-piperidin-1-ium Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([NH+]1CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C)C

InChI

InChI=1S/C22H33N3O2S/c1-17(2)28(26,27)22-23-15-21(16-25-18(3)9-8-10-19(25)4)24(22)14-13-20-11-6-5-7-12-20/h5-7,11-12,15,17-19H,8-10,13-14,16H2,1-4H3/p+1/t18-,19+