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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H19N6OS+ MolecularWeight: 355.43736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C4=NC=CC=N4

InChI

InChI=1S/C17H18N6OS/c24-15(21-17-20-13-4-1-2-5-14(13)25-17)12-22-8-10-23(11-9-22)16-18-6-3-7-19-16/h1-7H,8-12H2,(H,20,21,24)/p+1