N-(3-aminophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-aminophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-aminophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-aminophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-aminophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-aminophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H21N6O+ MolecularWeight: 313.37754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)N)C3=NC=CC=N3

InChI

InChI=1S/C16H20N6O/c17-13-3-1-4-14(11-13)20-15(23)12-21-7-9-22(10-8-21)16-18-5-2-6-19-16/h1-6,11H,7-10,12,17H2,(H,20,23)/p+1