(2R)-1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[2-keto-2-(4-phenoxyanilino)ethyl]piperidin-1-ium-2-carboxamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c21-20(25)18-8-4-5-13-23(18)14-19(24)22-15-9-11-17(12-10-15)26-16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,21,25)(H,22,24)/p+1/t18-/m1/s1