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

Systemtic Name: cyclohexyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-azanium Openeye Name: cyclohexyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: cyclohexyl-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-methylammonium IUPAC Name: cyclohexyl-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-methylazanium Traditional Name: cyclohexyl-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C3CCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C3CCCCC3

InChI

InChI=1S/C21H31N3O2S/c1-3-27(25,26)21-22-16-20(17-23(2)19-12-8-5-9-13-19)24(21)15-14-18-10-6-4-7-11-18/h4,6-7,10-11,16,19H,3,5,8-9,12-15,17H2,1-2H3/p+1