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

Systemtic Name: 2-hydroxyethyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-(2-hydroxyethyl)ammonium CAS Name: 2-hydroxyethyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-(2-hydroxyethyl)ammonium Formula: C23H30N3O4S+ MolecularWeight: 444.567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CC=C3

Isomeric SMILES

COCCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S/c1-30-14-15-31(28,29)23-24-16-22(26(23)18-21-10-6-3-7-11-21)19-25(12-13-27)17-20-8-4-2-5-9-20/h2-11,16,27H,12-15,17-19H2,1H3/p+1