3-iodanyl-4-(piperazin-1-ylmethyl)benzoic acid

Systemtic Name: 3-iodanyl-4-(piperazin-1-ylmethyl)benzoic acid Openeye Name: 3-iodo-4-(piperazin-1-ylmethyl)benzoic acid CAS Name: 3-iodo-4-(1-piperazinylmethyl)benzoic acid IUPAC Name: 3-iodo-4-(piperazin-1-ylmethyl)benzoic acid Traditional Name: 3-iodo-4-(piperazinomethyl)benzoic acid Formula: C12H15IN2O2 MolecularWeight: 346.16417

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C(C=C(C=C2)C(=O)O)I

Isomeric SMILES

C1CN(CCN1)CC2=C(C=C(C=C2)C(=O)O)I

InChI

InChI=1S/C12H15IN2O2/c13-11-7-9(12(16)17)1-2-10(11)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2,(H,16,17)