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

Systemtic Name: ethyl-methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-ethyl-methyl-ammonium CAS Name: ethyl-methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-ethyl-methylazanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-ethyl-methyl-ammonium Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C)CC1=CN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](C)CC1=CN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2S/c1-5-20(4)13-17-11-19-18(21(17)12-15(2)3)24(22,23)14-16-9-7-6-8-10-16/h6-11,15H,5,12-14H2,1-4H3/p+1