2-[(2S,5S,6S)-6-[(4-methoxyphenyl)methylcarbamoyl]-5-oxidanyl-oxan-2-yl]ethyl-methyl-phenethyl-azanium

Systemtic Name: 2-[(2S,5S,6S)-6-[(4-methoxyphenyl)methylcarbamoyl]-5-oxidanyl-oxan-2-yl]ethyl-methyl-phenethyl-azanium Openeye Name: 2-[(2S,5S,6S)-5-hydroxy-6-[(4-methoxyphenyl)methylcarbamoyl]tetrahydropyran-2-yl]ethyl-methyl-phenethyl-ammonium CAS Name: 2-[(2S,5S,6S)-5-hydroxy-6-[[(4-methoxyphenyl)methylamino]-oxomethyl]-2-oxanyl]ethyl-methyl-phenethylammonium IUPAC Name: 2-[(2S,5S,6S)-5-hydroxy-6-[(4-methoxyphenyl)methylcarbamoyl]oxan-2-yl]ethyl-methyl-phenethylazanium Traditional Name: 2-[(2S,5S,6S)-5-hydroxy-6-(p-anisylcarbamoyl)tetrahydropyran-2-yl]ethyl-methyl-phenethyl-ammonium Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1CCC(C(O1)C(=O)NCC2=CC=C(C=C2)OC)O)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC[C@@H]1CC[C@@H]([C@H](O1)C(=O)NCC2=CC=C(C=C2)OC)O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O4/c1-27(16-14-19-6-4-3-5-7-19)17-15-22-12-13-23(28)24(31-22)25(29)26-18-20-8-10-21(30-2)11-9-20/h3-11,22-24,28H,12-18H2,1-2H3,(H,26,29)/p+1/t22-,23-,24-/m0/s1