(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: (2R)-N-(2,6-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: (2R)-N-(2,6-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-(4-nitrophenyl)acetamide CAS Name: (2R)-N-(2,6-dimethylphenyl)-2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-2-(4-nitrophenyl)acetamide IUPAC Name: (2R)-N-(2,6-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-(4-nitrophenyl)acetamide Traditional Name: (2R)-N-(2,6-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-(4-nitrophenyl)acetamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCN(CC3)CCO

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C22H28N4O4/c1-16-4-3-5-17(2)20(16)23-22(28)21(18-6-8-19(9-7-18)26(29)30)25-12-10-24(11-13-25)14-15-27/h3-9,21,27H,10-15H2,1-2H3,(H,23,28)/p+1/t21-/m1/s1