2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(2-thenyl)piperazino]ethanone Formula: C23H29N4OS2+ MolecularWeight: 441.63256

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C23H28N4OS2/c28-22(27-13-11-26(12-14-27)16-19-4-3-15-29-19)17-25-9-7-18(8-10-25)23-24-20-5-1-2-6-21(20)30-23/h1-6,15,18H,7-14,16-17H2/p+1