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

Systemtic Name: ethyl 1-[[4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H38N2O5+2 MolecularWeight: 422.55822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H36N2O5/c1-3-29-23(27)19-8-12-25(13-9-19)15-18-6-7-21(28-2)22(14-18)30-17-20(26)16-24-10-4-5-11-24/h6-7,14,19-20,26H,3-5,8-13,15-17H2,1-2H3/p+2/t20-/m1/s1