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

Systemtic Name: methyl 4-[(2R)-2-oxidanyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazino)propoxy]benzoic acid methyl ester Formula: C20H26N3O4+ MolecularWeight: 372.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C20H25N3O4/c1-26-20(25)16-5-7-18(8-6-16)27-15-17(24)14-22-10-12-23(13-11-22)19-4-2-3-9-21-19/h2-9,17,24H,10-15H2,1H3/p+1/t17-/m1/s1