(2S)-1-[2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(2-benzoylanilino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-(2-benzoylanilino)-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-(2-benzoylanilino)-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c22-21(27)18-12-6-7-13-24(18)14-19(25)23-17-11-5-4-10-16(17)20(26)15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2,(H2,22,27)(H,23,25)/p+1/t18-/m0/s1