cyclohexyl-ethyl-[[3-(2-methoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium

Systemtic Name: cyclohexyl-ethyl-[[3-(2-methoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: cyclohexyl-ethyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium CAS Name: cyclohexyl-ethyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: cyclohexyl-ethyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Traditional Name: cyclohexyl-ethyl-[[4-hydroxy-7-keto-3-(2-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium Formula: C25H34NO4+ MolecularWeight: 412.54176

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1C2C(=C(C(=CO2)C3=CC=CC=C3OC)O)CCC1=O)C4CCCCC4

Isomeric SMILES

CC[NH+](CC1C2C(=C(C(=CO2)C3=CC=CC=C3OC)O)CCC1=O)C4CCCCC4

InChI

InChI=1S/C25H33NO4/c1-3-26(17-9-5-4-6-10-17)15-20-22(27)14-13-19-24(28)21(16-30-25(19)20)18-11-7-8-12-23(18)29-2/h7-8,11-12,16-17,20,25,28H,3-6,9-10,13-15H2,1-2H3/p+1