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

Systemtic Name: 1-(4-oxidanyl-3-phenyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazol-5-yl)ethanone Openeye Name: 1-(4-hydroxy-3-phenyl-2-pyrrolidin-1-ium-1-ylidene-thiazol-5-yl)ethanone CAS Name: 1-[4-hydroxy-3-phenyl-2-(1-pyrrolidin-1-iumylidene)-5-thiazolyl]ethanone IUPAC Name: 1-(4-hydroxy-3-phenyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazol-5-yl)ethanone Traditional Name: 1-(4-hydroxy-3-phenyl-2-pyrrolidin-1-ium-1-ylidene-4-thiazolin-5-yl)ethanone Formula: C15H17N2O2S+ MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C(=[N+]2CCCC2)S1)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=C(N(C(=[N+]2CCCC2)S1)C3=CC=CC=C3)O

InChI

InChI=1S/C15H16N2O2S/c1-11(18)13-14(19)17(12-7-3-2-4-8-12)15(20-13)16-9-5-6-10-16/h2-4,7-8H,5-6,9-10H2,1H3/p+1