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

Systemtic Name: (3R)-1-[2-oxidanylidene-2-[[2-(phenethylcarbamoyl)phenyl]amino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-oxo-2-[2-(phenethylcarbamoyl)anilino]ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-oxo-2-[2-[oxo-(phenethylamino)methyl]anilino]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-oxo-2-[2-(phenethylcarbamoyl)anilino]ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[2-(phenethylcarbamoyl)anilino]ethyl]piperidin-1-ium-3-carboxamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H28N4O3/c24-22(29)18-9-6-14-27(15-18)16-21(28)26-20-11-5-4-10-19(20)23(30)25-13-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2,(H2,24,29)(H,25,30)(H,26,28)/p+1/t18-/m1/s1