2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H25N6OS+ MolecularWeight: 409.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H24N6OS/c28-19(25-11-13-26(14-12-25)21-22-8-4-9-23-21)15-27-10-3-6-17(27)20-24-16-5-1-2-7-18(16)29-20/h1-2,4-5,7-9,17H,3,6,10-15H2/p+1/t17-/m1/s1