1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]azepan-1-ium Openeye Name: 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]azepan-1-ium CAS Name: 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]azepan-1-ium IUPAC Name: 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]azepan-1-ium Traditional Name: 1-[[3-(2-methoxyethyl)-2-neopentylsulfonyl-imidazol-4-yl]methyl]azepan-1-ium Formula: C18H34N3O3S+ MolecularWeight: 372.54586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCCCCC2

Isomeric SMILES

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCCCCC2

InChI

InChI=1S/C18H33N3O3S/c1-18(2,3)15-25(22,23)17-19-13-16(21(17)11-12-24-4)14-20-9-7-5-6-8-10-20/h13H,5-12,14-15H2,1-4H3/p+1