(3S)-1-[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(2-iodoanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(2-iodoanilino)-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(2-iodoanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(2-iodoanilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C20H23IN3O2+ MolecularWeight: 464.31999

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2I)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2I)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22IN3O2/c21-17-10-4-5-11-18(17)23-19(25)14-24-12-6-7-15(13-24)20(26)22-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H,22,26)(H,23,25)/p+1/t15-/m0/s1