(3S)-N-(3-iodanylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-iodanylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-iodophenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3-iodophenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-iodophenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-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(=CC=C2)I

Isomeric SMILES

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

InChI

InChI=1S/C12H15IN2O/c13-10-4-1-5-11(7-10)15-12(16)9-3-2-6-14-8-9/h1,4-5,7,9,14H,2-3,6,8H2,(H,15,16)/p+1/t9-/m0/s1