(2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C19H19N3O4/c23-18(16-6-3-11-26-16)22-9-7-21(8-10-22)17(19(24)25)14-12-20-15-5-2-1-4-13(14)15/h1-6,11-12,17,20H,7-10H2,(H,24,25)/t17-/m1/s1