(2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: (2S)-N-(4-benzyloxyphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2S)-N-(4-benzoxyphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C26H29N4O4+ MolecularWeight: 461.53286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O4/c1-20(28-15-17-29(18-16-28)23-9-11-24(12-10-23)30(32)33)26(31)27-22-7-13-25(14-8-22)34-19-21-5-3-2-4-6-21/h2-14,20H,15-19H2,1H3,(H,27,31)/p+1/t20-/m0/s1