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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanone Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCN(CC4)CCOC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCN(CC4)CCOC5=CC=CC=C5

InChI

InChI=1S/C26H32N4O2S/c31-25(20-29-16-14-28(15-17-29)18-19-32-22-6-2-1-3-7-22)30-12-10-21(11-13-30)26-27-23-8-4-5-9-24(23)33-26/h1-9,21H,10-20H2/p+1