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

Systemtic Name: methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-methyl-(3-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=CSC=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)CC3=CSC=C3

InChI

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