2-[1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[2-[2-(phenylthio)ethoxy]ethyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[2-[2-(phenylthio)ethoxy]ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C22H27N2OS2+ MolecularWeight: 399.59258

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCOCCSC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCOCCSC4=CC=CC=C4

InChI

InChI=1S/C22H26N2OS2/c1-2-6-19(7-3-1)26-17-16-25-15-14-24-12-10-18(11-13-24)22-23-20-8-4-5-9-21(20)27-22/h1-9,18H,10-17H2/p+1