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

Systemtic Name: cyclohexyl-[[3-(2-methoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methylazanium Traditional Name: cyclohexyl-[[4-hydroxy-7-keto-3-(2-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-25(16-8-4-3-5-9-16)14-19-21(26)13-12-18-23(27)20(15-29-24(18)19)17-10-6-7-11-22(17)28-2/h6-7,10-11,15-16,19,24,27H,3-5,8-9,12-14H2,1-2H3/p+1