2-(1,3,4-thiadiazol-3-ium-3-yl)-1-(2,5,8-trimethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethanone

Systemtic Name: 2-(1,3,4-thiadiazol-3-ium-3-yl)-1-(2,5,8-trimethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethanone Openeye Name: 1-(6-hydroxy-2,5,8-trimethyl-chroman-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone CAS Name: 1-(6-hydroxy-2,5,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone IUPAC Name: 1-(6-hydroxy-2,5,8-trimethyl-3,4-dihydrochromen-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone Traditional Name: 1-(6-hydroxy-2,5,8-trimethyl-chroman-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OC(CC2)(C)C(=O)C[N+]3=CSC=N3)C)O

Isomeric SMILES

CC1=CC(=C(C2=C1OC(CC2)(C)C(=O)C[N+]3=CSC=N3)C)O

InChI

InChI=1S/C16H18N2O3S/c1-10-6-13(19)11(2)12-4-5-16(3,21-15(10)12)14(20)7-18-9-22-8-17-18/h6,8-9H,4-5,7H2,1-3H3/p+1