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

Systemtic Name: ethyl 2-[[(3R)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-3-26-20(25)18-13(2)15-8-4-5-9-16(15)22-17(18)12-23-10-6-7-14(11-23)19(21)24/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H2,21,24)/p+1/t14-/m1/s1