2-pyrrolidin-1-ium-1-ylethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid 2-pyrrolidin-1-ium-1-ylethyl ester Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC[NH+]4CCCC4

InChI

InChI=1S/C23H24N2O3/c1-27-18-10-8-17(9-11-18)22-16-20(19-6-2-3-7-21(19)24-22)23(26)28-15-14-25-12-4-5-13-25/h2-3,6-11,16H,4-5,12-15H2,1H3/p+1