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

Systemtic Name: ethanoyl-[2-oxidanyl-4-[3-(4-oxidanylidenequinazolin-3-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: acetyl-[2-hydroxy-4-[3-(4-oxoquinazolin-3-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: acetyl-[2-hydroxy-4-[[1-oxo-3-(4-oxo-3-quinazolinyl)propoxy]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: acetyl-[2-hydroxy-4-[3-(4-oxoquinazolin-3-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: acetyl-[2-hydroxy-4-[3-(4-ketoquinazolin-3-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)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

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