(2R)-2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2R)-2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(ethylcarbamoyl)-2-phenylacetamide IUPAC Name: (2R)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: (2R)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C22H26ClN4O3+ MolecularWeight: 429.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O3/c1-2-24-22(30)25-20(28)19(16-6-4-3-5-7-16)26-12-14-27(15-13-26)21(29)17-8-10-18(23)11-9-17/h3-11,19H,2,12-15H2,1H3,(H2,24,25,28,30)/p+1/t19-/m1/s1