(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C21H28N3O2S2+ MolecularWeight: 418.59592

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C(C)C3=CC=CS3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)[C@H](C)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S2/c1-4-28(25,26)21-22-15-19(16-23(3)17(2)20-11-8-14-27-20)24(21)13-12-18-9-6-5-7-10-18/h5-11,14-15,17H,4,12-13,16H2,1-3H3/p+1/t17-/m1/s1