(2R)-N-(3-ethanoylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-ethanoylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-(4-benzoyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)propionamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-16(21(27)23-20-10-6-9-19(15-20)17(2)26)24-11-13-25(14-12-24)22(28)18-7-4-3-5-8-18/h3-10,15-16H,11-14H2,1-2H3,(H,23,27)/p+1/t16-/m1/s1