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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-9-7-13(19)10(2)12-5-6-16(4,21-14(9)12)15(20)18-8-22-11(3)17-18/h7-8H,5-6H2,1-4H3/p+1