phenyl-[1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: phenyl-[1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: phenyl-[1-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: phenyl-[1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: phenyl-[1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: phenyl-[1-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C20H21N2OS2+ MolecularWeight: 369.52354

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C20H20N2OS2/c23-19(15-6-2-1-3-7-15)16-10-12-21(13-11-16)14-22-17-8-4-5-9-18(17)25-20(22)24/h1-9,16H,10-14H2/p+1