1-(4-oxidanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-5-yl)ethanone

Systemtic Name: 1-(4-oxidanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-5-yl)ethanone Openeye Name: 1-(4-hydroxy-3-phenyl-2-piperidin-1-ium-1-ylidene-thiazol-5-yl)ethanone CAS Name: 1-[4-hydroxy-3-phenyl-2-(1-piperidin-1-iumylidene)-5-thiazolyl]ethanone IUPAC Name: 1-(4-hydroxy-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-5-yl)ethanone Traditional Name: 1-(4-hydroxy-3-phenyl-2-piperidin-1-ium-1-ylidene-4-thiazolin-5-yl)ethanone Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=CC=C3)O

InChI

InChI=1S/C16H18N2O2S/c1-12(19)14-15(20)18(13-8-4-2-5-9-13)16(21-14)17-10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3/p+1