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

Systemtic Name: 2-[(2S,5S,6S)-6-(cyclopropylcarbamoyl)-5-oxidanyl-oxan-2-yl]ethyl-methyl-phenethyl-azanium Openeye Name: 2-[(2S,5S,6S)-6-(cyclopropylcarbamoyl)-5-hydroxy-tetrahydropyran-2-yl]ethyl-methyl-phenethyl-ammonium CAS Name: 2-[(2S,5S,6S)-6-[(cyclopropylamino)-oxomethyl]-5-hydroxy-2-oxanyl]ethyl-methyl-phenethylammonium IUPAC Name: 2-[(2S,5S,6S)-6-(cyclopropylcarbamoyl)-5-hydroxyoxan-2-yl]ethyl-methyl-phenethylazanium Traditional Name: 2-[(2S,5S,6S)-6-(cyclopropylcarbamoyl)-5-hydroxy-tetrahydropyran-2-yl]ethyl-methyl-phenethyl-ammonium Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1CCC(C(O1)C(=O)NC2CC2)O)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC[C@@H]1CC[C@@H]([C@H](O1)C(=O)NC2CC2)O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H30N2O3/c1-22(13-11-15-5-3-2-4-6-15)14-12-17-9-10-18(23)19(25-17)20(24)21-16-7-8-16/h2-6,16-19,23H,7-14H2,1H3,(H,21,24)/p+1/t17-,18-,19-/m0/s1