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

Systemtic Name: (2R)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CC[NH+](CC2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CN2CC[NH+](CC2)[C@H](C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C26H30N4O3/c31-22(29-12-6-7-13-29)18-28-14-16-30(17-15-28)25(26(32)33)23-20-10-4-5-11-21(20)27-24(23)19-8-2-1-3-9-19/h1-5,8-11,25,27H,6-7,12-18H2,(H,32,33)/t25-/m1/s1