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

Systemtic Name: (3R)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-phenyl-piperidin-1-ium Openeye Name: (3R)-1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-3-phenyl-piperidin-1-ium CAS Name: (3R)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-phenylpiperidin-1-ium IUPAC Name: (3R)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidin-1-ium Traditional Name: (3R)-1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-3-phenyl-piperidin-1-ium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-16(2)13-23-19(12-21-20(23)26(3,24)25)15-22-11-7-10-18(14-22)17-8-5-4-6-9-17/h4-6,8-9,12,16,18H,7,10-11,13-15H2,1-3H3/p+1/t18-/m0/s1