(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: (2R)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C20H25N4O5+ MolecularWeight: 401.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H24N4O5/c1-14(20(26)21-16-8-7-15(29-2)13-18(16)24(27)28)22-9-11-23(12-10-22)17-5-3-4-6-19(17)25/h3-8,13-14,25H,9-12H2,1-2H3,(H,21,26)/p+1/t14-/m1/s1