(3S)-N-(4-iodophenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(4-iodophenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(4-iodophenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(4-iodophenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(4-iodophenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4-iodophenyl)piperidin-1-ium-3-carboxamide Formula: C12H16IN2O+ MolecularWeight: 331.17271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C12H15IN2O/c13-10-3-5-11(6-4-10)15-12(16)9-2-1-7-14-8-9/h3-6,9,14H,1-2,7-8H2,(H,15,16)/p+1/t9-/m0/s1