N-(5-acetamido-2-methoxy-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-(4-benzoyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-16(27)23-18-8-9-20(30-2)19(14-18)24-21(28)15-25-10-12-26(13-11-25)22(29)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,27)(H,24,28)/p+1