3-iodanyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 3-iodanyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 3-iodo-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid CAS Name: 3-iodo-4-[(4-methyl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 3-iodo-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 3-iodo-4-[(4-methylpiperazino)methyl]benzoic acid Formula: C13H17IN2O2 MolecularWeight: 360.19075

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)I

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)I

InChI

InChI=1S/C13H17IN2O2/c1-15-4-6-16(7-5-15)9-11-3-2-10(13(17)18)8-12(11)14/h2-3,8H,4-7,9H2,1H3,(H,17,18)