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

Systemtic Name: ethyl 4-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H39N3O5+2 MolecularWeight: 437.57286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H37N3O5/c1-3-30-23(28)26-13-11-25(12-14-26)16-19-7-8-21(29-2)22(15-19)31-18-20(27)17-24-9-5-4-6-10-24/h7-8,15,20,27H,3-6,9-14,16-18H2,1-2H3/p+2/t20-/m1/s1