(2R)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-16(20(25)21-15-17-5-3-2-4-6-17)22-11-13-23(14-12-22)18-7-9-19(10-8-18)24(26)27/h2-10,16H,11-15H2,1H3,(H,21,25)/p+1/t16-/m1/s1