ethyl 2-[[(3R)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[(3R)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[(3R)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(3R)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3R)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(3R)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-4-27-21(25)16-9-8-12-24(13-16)14-19-20(22(26)28-5-2)15(3)17-10-6-7-11-18(17)23-19/h6-7,10-11,16H,4-5,8-9,12-14H2,1-3H3/p+1/t16-/m1/s1