[1-(phenylmethyl)indol-1-ium-1-yl] 2-(phenylcarbonyl)butanoate

Systemtic Name: [1-(phenylmethyl)indol-1-ium-1-yl] 2-(phenylcarbonyl)butanoate Openeye Name: (1-benzylindol-1-ium-1-yl) 2-benzoylbutanoate CAS Name: 2-benzoylbutanoic acid [1-(phenylmethyl)-1-indol-1-iumyl] ester IUPAC Name: (1-benzylindol-1-ium-1-yl) 2-benzoylbutanoate Traditional Name: 2-benzoylbutyric acid (1-benzylindol-1-ium-1-yl) ester Formula: C26H24NO3+ MolecularWeight: 398.47366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)C(=O)O[N+]2(C=CC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)C(=O)O[N+]2(C=CC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C26H24NO3/c1-2-23(25(28)22-14-7-4-8-15-22)26(29)30-27(19-20-11-5-3-6-12-20)18-17-21-13-9-10-16-24(21)27/h3-18,23H,2,19H2,1H3/q+1