(3R)-1-[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(5-chloro-2-phenoxy-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H22ClN3O3/c21-15-8-9-18(27-16-6-2-1-3-7-16)17(11-15)23-19(25)13-24-10-4-5-14(12-24)20(22)26/h1-3,6-9,11,14H,4-5,10,12-13H2,(H2,22,26)(H,23,25)/p+1/t14-/m1/s1