(2R)-2-[4-(3-acetamidophenyl)carbonylpiperazin-1-ium-1-yl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: (2R)-2-[4-(3-acetamidophenyl)carbonylpiperazin-1-ium-1-yl]-2-(4-chlorophenyl)ethanamide Openeye Name: (2R)-2-[4-(3-acetamidobenzoyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetamide CAS Name: (2R)-2-[4-[(3-acetamidophenyl)-oxomethyl]-1-piperazin-1-iumyl]-2-(4-chlorophenyl)acetamide IUPAC Name: (2R)-2-[4-(3-acetamidobenzoyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetamide Traditional Name: (2R)-2-[4-(3-acetamidobenzoyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetamide Formula: C21H24ClN4O3+ MolecularWeight: 415.89326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)Cl)C(=O)N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)[C@H](C3=CC=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C21H23ClN4O3/c1-14(27)24-18-4-2-3-16(13-18)21(29)26-11-9-25(10-12-26)19(20(23)28)15-5-7-17(22)8-6-15/h2-8,13,19H,9-12H2,1H3,(H2,23,28)(H,24,27)/p+1/t19-/m1/s1