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

Systemtic Name: ethyl 1-[[3-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-[(2R)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H41N3O4+2 MolecularWeight: 435.60004

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH+]3CCC(CC3)C(=O)OCC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@H](COC2=CC=CC(=C2)C[NH+]3CCC(CC3)C(=O)OCC)O

InChI

InChI=1S/C24H39N3O4/c1-3-25-12-14-27(15-13-25)18-22(28)19-31-23-7-5-6-20(16-23)17-26-10-8-21(9-11-26)24(29)30-4-2/h5-7,16,21-22,28H,3-4,8-15,17-19H2,1-2H3/p+2/t22-/m1/s1