ethyl 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CC(OC(C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3C[C@@H](O[C@H](C3)C)C)C

InChI

InChI=1S/C20H26N2O3/c1-5-24-20(23)19-15(4)16-8-6-7-9-17(16)21-18(19)12-22-10-13(2)25-14(3)11-22/h6-9,13-14H,5,10-12H2,1-4H3/p+1/t13-,14-/m0/s1