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

Systemtic Name: [3-(4-methoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-hydroxy-3-(4-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium CAS Name: [4-hydroxy-3-(4-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-hydroxy-3-(4-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[4-hydroxy-7-keto-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4/c1-26(14-17-6-4-3-5-7-17)15-21-23(27)13-12-20-24(28)22(16-30-25(20)21)18-8-10-19(29-2)11-9-18/h3-11,16,21,25,28H,12-15H2,1-2H3/p+1