2-[4-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazinoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H25N6O2S+ MolecularWeight: 437.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H24N6O2S/c29-18(27-9-3-4-10-27)15-26-11-13-28(14-12-26)22(30)20-19(23-7-8-24-20)21-25-16-5-1-2-6-17(16)31-21/h1-2,5-8H,3-4,9-15H2/p+1