methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C

InChI

InChI=1S/C20H26N2O2/c1-13-9-14(2)11-22(10-13)12-18-19(20(23)24-4)15(3)16-7-5-6-8-17(16)21-18/h5-8,13-14H,9-12H2,1-4H3/p+1/t13-,14-/m1/s1