(2-methoxy-2-oxidanylidene-ethyl)-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl)-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(2-methoxy-2-oxo-ethyl)-methyl-ammonium CAS Name: (2-methoxy-2-oxoethyl)-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: (2-methoxy-2-oxoethyl)-methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(2-keto-2-methoxy-ethyl)-methyl-ammonium Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC(=O)OC

InChI

InChI=1S/C19H27N3O4S/c1-15(2)27(24,25)19-20-12-17(13-21(3)14-18(23)26-4)22(19)11-10-16-8-6-5-7-9-16/h5-9,12,15H,10-11,13-14H2,1-4H3/p+1