(2R)-2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-(2,4-dinitrophenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C18H20N5O5+ MolecularWeight: 386.3819

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c19-18(24)17(13-4-2-1-3-5-13)21-10-8-20(9-11-21)15-7-6-14(22(25)26)12-16(15)23(27)28/h1-7,12,17H,8-11H2,(H2,19,24)/p+1/t17-/m1/s1