3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide

Systemtic Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide CAS Name: 3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propionamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H27N3O2/c29-22-12-10-21(11-13-22)28-18-16-27(17-19-28)15-14-25(30)26-24-9-5-4-8-23(24)20-6-2-1-3-7-20/h1-13,29H,14-19H2,(H,26,30)/p+1