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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

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