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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H29N5OS+2 MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H27N5OS/c29-22(27-15-13-26(14-16-27)21-10-3-5-11-24-21)17-28-12-6-4-8-19(28)23-25-18-7-1-2-9-20(18)30-23/h1-3,5,7,9-11,19H,4,6,8,12-17H2/p+2/t19-/m1/s1