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

Systemtic Name: (2S)-2-ethyl-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperidin-1-ium Openeye Name: (2S)-1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-2-ethyl-piperidin-1-ium CAS Name: (2S)-2-ethyl-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]piperidin-1-ium IUPAC Name: (2S)-1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-2-ethylpiperidin-1-ium Traditional Name: (2S)-1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-2-ethyl-piperidin-1-ium Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2S/c1-4-20-12-8-9-13-24(20)16-21-14-23-22(25(21)15-18(2)3)28(26,27)17-19-10-6-5-7-11-19/h5-7,10-11,14,18,20H,4,8-9,12-13,15-17H2,1-3H3/p+1/t20-/m0/s1