N-(2-phenoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-phenoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-phenoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2-phenoxyphenyl)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-phenoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2-phenoxyphenyl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C23H25N5O2/c29-22(11-14-27-15-17-28(18-16-27)23-24-12-6-13-25-23)26-20-9-4-5-10-21(20)30-19-7-2-1-3-8-19/h1-10,12-13H,11,14-18H2,(H,26,29)/p+1