ethyl 4-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H36N3O4+ MolecularWeight: 406.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H35N3O4/c1-2-28-22(27)25-14-12-24(13-15-25)16-19-8-4-5-9-21(19)29-18-20(26)17-23-10-6-3-7-11-23/h4-5,8-9,20,26H,2-3,6-7,10-18H2,1H3/p+1/t20-/m1/s1