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

Systemtic Name: 2-[1-(2-phenylsulfanylethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(2-phenylsulfanylethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[2-(phenylthio)ethyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-(2-phenylsulfanylethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[2-(phenylthio)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C20H23N2S2+ MolecularWeight: 355.54002

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCSC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCSC4=CC=CC=C4

InChI

InChI=1S/C20H22N2S2/c1-2-6-17(7-3-1)23-15-14-22-12-10-16(11-13-22)20-21-18-8-4-5-9-19(18)24-20/h1-9,16H,10-15H2/p+1