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

Systemtic Name: ethanoyl-[4-[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: acetyl-[2-hydroxy-4-[3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: acetyl-[2-hydroxy-4-[[3-(3-methyl-2-oxo-1-benzimidazolyl)-1-oxopropoxy]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: acetyl-[2-hydroxy-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: acetyl-[2-hydroxy-4-[3-(2-keto-3-methyl-benzimidazol-1-yl)propanoyloxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C23H26N3O6+ MolecularWeight: 440.46904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)CCN3C4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)CCN3C4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C23H25N3O6/c1-14(27)24-16-7-8-17-15(11-22(29)32-20(17)12-16)13-31-21(28)9-10-26-19-6-4-3-5-18(19)25(2)23(26)30/h3-6,11,20,29H,7-10,12-13H2,1-2H3/p+1