2-(3-methoxyphenyl)-5-oxidanylidene-1-phenethyl-3-phenyl-pyrrolidin-1-ium-1-carboxylic acid

Systemtic Name: 2-(3-methoxyphenyl)-5-oxidanylidene-1-phenethyl-3-phenyl-pyrrolidin-1-ium-1-carboxylic acid Openeye Name: 2-(3-methoxyphenyl)-5-oxo-1-phenethyl-3-phenyl-pyrrolidin-1-ium-1-carboxylic acid CAS Name: 2-(3-methoxyphenyl)-5-oxo-1-phenethyl-3-phenyl-1-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 2-(3-methoxyphenyl)-5-oxo-1-phenethyl-3-phenylpyrrolidin-1-ium-1-carboxylic acid Traditional Name: 5-keto-2-(3-methoxyphenyl)-1-phenethyl-3-phenyl-pyrrolidin-1-ium-1-carboxylic acid Formula: C26H26NO4+ MolecularWeight: 416.48894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(CC(=O)[N+]2(CCC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2C(CC(=O)[N+]2(CCC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25NO4/c1-31-22-14-8-13-21(17-22)25-23(20-11-6-3-7-12-20)18-24(28)27(25,26(29)30)16-15-19-9-4-2-5-10-19/h2-14,17,23,25H,15-16,18H2,1H3/p+1