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

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-1-ium-1-yl]acetate Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CC[NH+](CC2)C(C3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CN2CC[NH+](CC2)[C@H](C3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C20H26N4O3/c25-18(23-7-3-4-8-23)14-22-9-11-24(12-10-22)19(20(26)27)16-13-21-17-6-2-1-5-15(16)17/h1-2,5-6,13,19,21H,3-4,7-12,14H2,(H,26,27)/t19-/m1/s1