methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-methyl-(2-thienylmethyl)ammonium CAS Name: methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-methyl-(2-thenyl)ammonium Formula: C21H28N3O2S2+ MolecularWeight: 418.59592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)CC3=CC=CS3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)CC3=CC=CS3

InChI

InChI=1S/C21H27N3O2S2/c1-17(2)13-24-19(14-23(3)15-20-10-7-11-27-20)12-22-21(24)28(25,26)16-18-8-5-4-6-9-18/h4-12,17H,13-16H2,1-3H3/p+1