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

Systemtic Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-phenethyl-piperidin-1-ium Openeye Name: 1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium CAS Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-phenethylpiperidin-1-ium IUPAC Name: 1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-phenethylpiperidin-1-ium Traditional Name: 1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2S/c1-18(2)16-25-21(15-23-22(25)28(3,26)27)17-24-13-11-20(12-14-24)10-9-19-7-5-4-6-8-19/h4-8,15,18,20H,9-14,16-17H2,1-3H3/p+1