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

Systemtic Name: cyclohexyl-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-methyl-azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-methylammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-cyclohexyl-methylazanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-cyclohexyl-methyl-ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)C3CCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)C3CCCCC3

InChI

InChI=1S/C20H29N3O2S/c1-3-26(24,25)20-21-14-19(16-22(2)18-12-8-5-9-13-18)23(20)15-17-10-6-4-7-11-17/h4,6-7,10-11,14,18H,3,5,8-9,12-13,15-16H2,1-2H3/p+1