2-hydroxyethyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]ammonium CAS Name: 2-hydroxyethyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]ammonium Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3S/c1-20(2)31(29,30)24-25-17-23(27(24)14-13-21-9-5-3-6-10-21)19-26(15-16-28)18-22-11-7-4-8-12-22/h3-12,17,20,28H,13-16,18-19H2,1-2H3/p+1