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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H23N6OS+ MolecularWeight: 383.49052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=NC3=CC=CC=C3S2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=NC3=CC=CC=C3S2)C4=NC=CC=N4

InChI

InChI=1S/C19H22N6OS/c26-17(20-9-6-18-23-15-4-1-2-5-16(15)27-18)14-24-10-12-25(13-11-24)19-21-7-3-8-22-19/h1-5,7-8H,6,9-14H2,(H,20,26)/p+1