(2R)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-1-iumyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-1-ium-1-yl]acetate Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CC[NH+](CC2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CN2CC[NH+](CC2)[C@H](C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C27H32N4O4/c32-25(30-10-4-5-11-30)18-29-12-14-31(15-13-29)26(27(33)34)23-17-28-24-9-8-21(16-22(23)24)35-19-20-6-2-1-3-7-20/h1-3,6-9,16-17,26,28H,4-5,10-15,18-19H2,(H,33,34)/t26-/m1/s1