ethyl 4-[(2R)-2-oxidanyl-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propoxy]benzoate

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propoxy]benzoate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propoxy]benzoic acid ethyl ester Formula: C22H34N3O5+ MolecularWeight: 420.52246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)CC(=O)N3CCCC3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)CC(=O)N3CCCC3)O

InChI

InChI=1S/C22H33N3O5/c1-2-29-22(28)18-5-7-20(8-6-18)30-17-19(26)15-23-11-13-24(14-12-23)16-21(27)25-9-3-4-10-25/h5-8,19,26H,2-4,9-17H2,1H3/p+1/t19-/m1/s1