1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C19H19N3O3S/c23-17(13-26-18-7-3-4-10-22(18)24)21-11-8-14(9-12-21)19-20-15-5-1-2-6-16(15)25-19/h1-7,10,14H,8-9,11-13H2