2-azanylethanoyl-[4-(4-carboxy-2-methylsulfonyl-phenoxy)phenyl]-dimethyl-azanium

Systemtic Name: 2-azanylethanoyl-[4-(4-carboxy-2-methylsulfonyl-phenoxy)phenyl]-dimethyl-azanium Openeye Name: (2-aminoacetyl)-[4-(4-carboxy-2-methylsulfonyl-phenoxy)phenyl]-dimethyl-ammonium CAS Name: (2-amino-1-oxoethyl)-[4-(4-carboxy-2-methylsulfonylphenoxy)phenyl]-dimethylammonium IUPAC Name: (2-aminoacetyl)-[4-(4-carboxy-2-methylsulfonylphenoxy)phenyl]-dimethylazanium Traditional Name: [4-(4-carboxy-2-mesyl-phenoxy)phenyl]-glycyl-dimethyl-ammonium Formula: C18H21N2O6S+ MolecularWeight: 393.43414

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C)C(=O)CN

Isomeric SMILES

C[N+](C)(C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C)C(=O)CN

InChI

InChI=1S/C18H20N2O6S/c1-20(2,17(21)11-19)13-5-7-14(8-6-13)26-15-9-4-12(18(22)23)10-16(15)27(3,24)25/h4-10H,11,19H2,1-3H3/p+1