(2R)-N-(methylcarbamoyl)-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-(methylcarbamoyl)-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(2-anilino-2-oxo-ethyl)piperazin-4-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2R)-2-[4-(2-anilino-2-oxoethyl)-1-piperazin-4-iumyl]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2R)-2-[4-(2-anilino-2-oxoethyl)piperazin-4-ium-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2R)-2-[4-(2-anilino-2-keto-ethyl)piperazin-4-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O3/c1-23-22(30)25-21(29)20(17-8-4-2-5-9-17)27-14-12-26(13-15-27)16-19(28)24-18-10-6-3-7-11-18/h2-11,20H,12-16H2,1H3,(H,24,28)(H2,23,25,29,30)/p+1/t20-/m1/s1