cyclohexyl-[(2-hydroxyphenyl)methyl]-[(2R)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-[(2-hydroxyphenyl)methyl]-[(2R)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonyl-phenoxy)propyl]-[(2-hydroxyphenyl)methyl]ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[(2-hydroxyphenyl)methyl]ammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[(2-hydroxyphenyl)methyl]azanium Traditional Name: [(2R)-3-(4-carbomethoxy-2-methoxy-phenoxy)-2-hydroxy-propyl]-cyclohexyl-salicyl-ammonium Formula: C25H34NO6+ MolecularWeight: 444.54056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH+](CC2=CC=CC=C2O)C3CCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@@H](C[NH+](CC2=CC=CC=C2O)C3CCCCC3)O

InChI

InChI=1S/C25H33NO6/c1-30-24-14-18(25(29)31-2)12-13-23(24)32-17-21(27)16-26(20-9-4-3-5-10-20)15-19-8-6-7-11-22(19)28/h6-8,11-14,20-21,27-28H,3-5,9-10,15-17H2,1-2H3/p+1/t21-/m1/s1