7-iodanyl-4-oxidanylidene-1-(piperidin-4-ylmethyl)quinoline-3-carboxylate

Systemtic Name: 7-iodanyl-4-oxidanylidene-1-(piperidin-4-ylmethyl)quinoline-3-carboxylate Openeye Name: 7-iodo-4-oxo-1-(4-piperidylmethyl)quinoline-3-carboxylate CAS Name: 7-iodo-4-oxo-1-(4-piperidinylmethyl)-3-quinolinecarboxylate IUPAC Name: 7-iodo-4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylate Traditional Name: 7-iodo-4-keto-1-(4-piperidylmethyl)quinoline-3-carboxylate Formula: C16H16IN2O3- MolecularWeight: 411.21431

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2C=C(C(=O)C3=C2C=C(C=C3)I)C(=O)[O-]

Isomeric SMILES

C1CNCCC1CN2C=C(C(=O)C3=C2C=C(C=C3)I)C(=O)[O-]

InChI

InChI=1S/C16H17IN2O3/c17-11-1-2-12-14(7-11)19(8-10-3-5-18-6-4-10)9-13(15(12)20)16(21)22/h1-2,7,9-10,18H,3-6,8H2,(H,21,22)/p-1