(3S)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-phenylmethoxy-piperidin-1-ium

Systemtic Name: (3S)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-phenylmethoxy-piperidin-1-ium Openeye Name: (3S)-3-benzyloxy-1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium CAS Name: (3S)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-phenylmethoxypiperidin-1-ium IUPAC Name: (3S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylmethoxypiperidin-1-ium Traditional Name: (3S)-3-benzoxy-1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperidin-1-ium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCC(C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC[C@@H](C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3S/c1-17(2)13-24-19(12-22-21(24)28(3,25)26)14-23-11-7-10-20(15-23)27-16-18-8-5-4-6-9-18/h4-6,8-9,12,17,20H,7,10-11,13-16H2,1-3H3/p+1/t20-/m0/s1