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

Systemtic Name: 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]azocan-1-ium Openeye Name: 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]azocan-1-ium CAS Name: 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]azocan-1-ium IUPAC Name: 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]azocan-1-ium Traditional Name: 1-[[3-(2-methoxyethyl)-2-neopentylsulfonyl-imidazol-4-yl]methyl]azocan-1-ium Formula: C19H36N3O3S+ MolecularWeight: 386.57244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCCCCCC2

Isomeric SMILES

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCCCCCC2

InChI

InChI=1S/C19H35N3O3S/c1-19(2,3)16-26(23,24)18-20-14-17(22(18)12-13-25-4)15-21-10-8-6-5-7-9-11-21/h14H,5-13,15-16H2,1-4H3/p+1