ethanoyl-[2-oxidanyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium

Systemtic Name: ethanoyl-[2-oxidanyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: acetyl-[2-hydroxy-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: acetyl-[2-hydroxy-4-[[1-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propoxy]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: acetyl-[2-hydroxy-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: acetyl-[2-hydroxy-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C23H24N3O6+ MolecularWeight: 438.45316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)CCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)CCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O6/c1-14(27)24-17-7-8-18-16(11-22(29)31-19(18)12-17)13-30-21(28)10-9-20-25-23(26-32-20)15-5-3-2-4-6-15/h2-6,11,19,29H,7-10,12-13H2,1H3/p+1