4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]thiomorpholin-4-ium CAS Name: 4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]thiomorpholin-4-ium Formula: C19H28N3O2S2+ MolecularWeight: 394.57452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCSCC3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCSCC3

InChI

InChI=1S/C19H27N3O2S2/c1-16(2)13-22-18(14-21-8-10-25-11-9-21)12-20-19(22)26(23,24)15-17-6-4-3-5-7-17/h3-7,12,16H,8-11,13-15H2,1-2H3/p+1