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

Systemtic Name: methyl 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(3S)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-4-27-20(24)15-8-7-11-23(12-15)13-18-19(21(25)26-3)14(2)16-9-5-6-10-17(16)22-18/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3/p+1/t15-/m0/s1