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

Systemtic Name: methyl 2-[[(3R)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(3R)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(3R)-3-carbamoyl-1-piperidin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3R)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(3R)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C19H24N3O3+ MolecularWeight: 342.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCCC(C3)C(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCC[C@H](C3)C(=O)N)C(=O)OC

InChI

InChI=1S/C19H23N3O3/c1-12-14-7-3-4-8-15(14)21-16(17(12)19(24)25-2)11-22-9-5-6-13(10-22)18(20)23/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H2,20,23)/p+1/t13-/m1/s1