(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(isoxazol-5-ylmethyl)-methyl-ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-(5-isoxazolylmethyl)-methylammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-(isoxazol-5-ylmethyl)-methyl-ammonium Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=NO3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=NO3

InChI

InChI=1S/C19H24N4O3S/c1-3-27(24,25)19-20-13-17(14-22(2)15-18-9-11-21-26-18)23(19)12-10-16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14-15H2,1-2H3/p+1