3-iodanyl-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-iodanyl-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 3-iodo-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-iodo-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-iodo-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 3-iodo-4-(4-methylpiperazino)benzoic acid Formula: C12H15IN2O2 MolecularWeight: 346.16417

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)I

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)I

InChI

InChI=1S/C12H15IN2O2/c1-14-4-6-15(7-5-14)11-3-2-9(12(16)17)8-10(11)13/h2-3,8H,4-7H2,1H3,(H,16,17)