N-(4-morpholin-4-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-morpholinophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-morpholinophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N6O2/c27-19(16-24-8-10-26(11-9-24)20-21-6-1-7-22-20)23-17-2-4-18(5-3-17)25-12-14-28-15-13-25/h1-7H,8-16H2,(H,23,27)/p+1