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

Systemtic Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[3-(1,3-benzothiazol-2-yl)pyrazinoyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C23H27N6O2S+ MolecularWeight: 451.56448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H26N6O2S/c30-19(28-10-4-1-5-11-28)16-27-12-14-29(15-13-27)23(31)21-20(24-8-9-25-21)22-26-17-6-2-3-7-18(17)32-22/h2-3,6-9H,1,4-5,10-16H2/p+1