methyl 4-[(2R)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2R)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoic acid methyl ester Formula: C22H29N2O5+ MolecularWeight: 401.47606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C22H28N2O5/c1-27-21-5-3-4-18(14-21)24-12-10-23(11-13-24)15-19(25)16-29-20-8-6-17(7-9-20)22(26)28-2/h3-9,14,19,25H,10-13,15-16H2,1-2H3/p+1/t19-/m1/s1