azanyl-[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]-ethanoyl-methyl-azanium

Systemtic Name: azanyl-[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]-ethanoyl-methyl-azanium Openeye Name: acetyl-amino-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-methyl-ammonium CAS Name: acetyl-amino-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-methylammonium IUPAC Name: acetyl-amino-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-methylazanium Traditional Name: acetyl-amino-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-methyl-ammonium Formula: C12H13I3N3O4+ MolecularWeight: 643.96273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](C)(C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I)N

Isomeric SMILES

CC(=O)[N+](C)(C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I)N

InChI

InChI=1S/C12H12I3N3O4/c1-4(19)18(3,16)10-8(14)5(11(20)17-2)7(13)6(9(10)15)12(21)22/h16H2,1-3H3,(H-,17,20,21,22)/p+1