[3-(3-methoxyphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [3-(3-methoxyphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-hydroxy-3-(3-methoxyphenoxy)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium CAS Name: [4-hydroxy-3-(3-methoxyphenoxy)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-hydroxy-3-(3-methoxyphenoxy)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[4-hydroxy-7-keto-3-(3-methoxyphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium Formula: C25H28NO5+ MolecularWeight: 422.49352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1C2C(=C(C(=CO2)OC3=CC(=CC=C3)OC)O)CCC1=O)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1C2C(=C(C(=CO2)OC3=CC(=CC=C3)OC)O)CCC1=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H27NO5/c1-26(14-17-7-4-3-5-8-17)15-21-22(27)12-11-20-24(28)23(16-30-25(20)21)31-19-10-6-9-18(13-19)29-2/h3-10,13,16,21,25,28H,11-12,14-15H2,1-2H3/p+1