1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H27N5OS/c29-22(17-26-12-14-27(15-13-26)21-9-3-4-10-24-21)28-11-5-6-18(16-28)23-25-19-7-1-2-8-20(19)30-23/h1-4,7-10,18H,5-6,11-17H2/p+1/t18-/m0/s1