(2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(furan-2-ylcarbonyl)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-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(furan-2-carbonyl)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-furoyl)piperazin-1-ium-1-yl]acetate Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C(=O)C5=CC=CO5

InChI

InChI=1S/C26H25N3O5/c30-25(23-7-4-14-33-23)29-12-10-28(11-13-29)24(26(31)32)21-16-27-22-9-8-19(15-20(21)22)34-17-18-5-2-1-3-6-18/h1-9,14-16,24,27H,10-13,17H2,(H,31,32)/t24-/m1/s1