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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C15H17N6OS+ MolecularWeight: 329.40008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C15H16N6OS/c16-10-12-2-9-23-14(12)19-13(22)11-20-5-7-21(8-6-20)15-17-3-1-4-18-15/h1-4,9H,5-8,11H2,(H,19,22)/p+1