ethanoyl-[4-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium

Systemtic Name: ethanoyl-[4-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: acetyl-[2-hydroxy-4-[3-(3-methyl-4-oxo-quinazolin-2-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: acetyl-[2-hydroxy-4-[[3-(3-methyl-4-oxo-2-quinazolinyl)-1-oxopropoxy]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: acetyl-[2-hydroxy-4-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: acetyl-[2-hydroxy-4-[3-(4-keto-3-methyl-quinazolin-2-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C24H26N3O6+ MolecularWeight: 452.47974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)CCC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)CCC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C24H25N3O6/c1-14(28)25-16-7-8-17-15(11-23(30)33-20(17)12-16)13-32-22(29)10-9-21-26-19-6-4-3-5-18(19)24(31)27(21)2/h3-6,11,20,30H,7-10,12-13H2,1-2H3/p+1