(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-bis(2-hydroxyethyl)azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-bis(2-hydroxyethyl)azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-bis(2-hydroxyethyl)ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-bis(2-hydroxyethyl)azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-bis(2-hydroxyethyl)ammonium Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-2-26(24,25)18-19-14-17(15-20(10-12-22)11-13-23)21(18)9-8-16-6-4-3-5-7-16/h3-7,14,22-23H,2,8-13,15H2,1H3/p+1