[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium

Systemtic Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Openeye Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-(isoxazol-5-ylmethyl)-methyl-ammonium CAS Name: 5-isoxazolylmethyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-methylammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-(isoxazol-5-ylmethyl)-methyl-ammonium Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=NO1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

Isomeric SMILES

C[NH+](CC1=CC=NO1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

InChI

InChI=1S/C19H24N4O4S/c1-22(15-18-8-9-21-27-18)14-17-12-20-19(28(24,25)11-10-26-2)23(17)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13-15H2,1-2H3/p+1