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

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(2-hydroxyethyl)-(2-thienylmethyl)ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-(2-hydroxyethyl)-(2-thenyl)ammonium Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CS3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CS3

InChI

InChI=1S/C21H27N3O3S2/c1-2-29(26,27)21-22-15-19(24(21)11-10-18-7-4-3-5-8-18)16-23(12-13-25)17-20-9-6-14-28-20/h3-9,14-15,25H,2,10-13,16-17H2,1H3/p+1