[(2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-2-pyrrolidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]methanol Formula: C19H28N3O3S+ MolecularWeight: 378.50892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC3CO

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC[C@H]3CO

InChI

InChI=1S/C19H27N3O3S/c1-2-26(24,25)19-20-13-18(14-21-11-6-9-17(21)15-23)22(19)12-10-16-7-4-3-5-8-16/h3-5,7-8,13,17,23H,2,6,9-12,14-15H2,1H3/p+1/t17-/m0/s1