cyclohexyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-methyl-azanium Openeye Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-methylammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-cyclohexyl-methylazanium Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-cyclohexyl-methyl-ammonium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=C(N1CC2=CC=CC=C2)S(=O)(=O)CCOC)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=CN=C(N1CC2=CC=CC=C2)S(=O)(=O)CCOC)C3CCCCC3

InChI

InChI=1S/C21H31N3O3S/c1-23(19-11-7-4-8-12-19)17-20-15-22-21(28(25,26)14-13-27-2)24(20)16-18-9-5-3-6-10-18/h3,5-6,9-10,15,19H,4,7-8,11-14,16-17H2,1-2H3/p+1