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

Systemtic Name: (3S)-3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium Openeye Name: (3S)-1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]piperidin-1-ium IUPAC Name: (3S)-3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium Traditional Name: (3S)-1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-3-methyl-piperidin-1-ium Formula: C15H28N3O2S+ MolecularWeight: 314.46672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CN=C(N2CC(C)C)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CN=C(N2CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C15H27N3O2S/c1-12(2)9-18-14(8-16-15(18)21(4,19)20)11-17-7-5-6-13(3)10-17/h8,12-13H,5-7,9-11H2,1-4H3/p+1/t13-/m0/s1