methyl 4-[(2R)-3-[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2R)-3-[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[4-[(2-hydroxyanilino)-oxomethyl]-1-piperidin-1-iumyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-ium-1-yl]propoxy]benzoic acid methyl ester Formula: C23H29N2O6+ MolecularWeight: 429.48616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)O

InChI

InChI=1S/C23H28N2O6/c1-30-23(29)17-6-8-19(9-7-17)31-15-18(26)14-25-12-10-16(11-13-25)22(28)24-20-4-2-3-5-21(20)27/h2-9,16,18,26-27H,10-15H2,1H3,(H,24,28)/p+1/t18-/m1/s1