[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-methyl-ammonium CAS Name: [2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(2-methoxyethyl)-2-neopentylsulfonyl-imidazol-4-yl]methyl]-methyl-ammonium Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O3S/c1-20(2,3)16-27(24,25)19-21-13-18(23(19)11-12-26-5)15-22(4)14-17-9-7-6-8-10-17/h6-10,13H,11-12,14-16H2,1-5H3/p+1