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

Systemtic Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenoxyphenyl)propanamide Openeye Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenoxyphenyl)propanamide CAS Name: 3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(2-phenoxyphenyl)propanamide IUPAC Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenoxyphenyl)propanamide Traditional Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenoxyphenyl)propionamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H27N3O3/c29-21-12-10-20(11-13-21)28-18-16-27(17-19-28)15-14-25(30)26-23-8-4-5-9-24(23)31-22-6-2-1-3-7-22/h1-13,29H,14-19H2,(H,26,30)/p+1