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

Systemtic Name: methyl 2-[[(3R)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(3R)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(3R)-3-carbamoyl-1-piperidin-1-iumyl]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3R)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(3R)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCC[C@H](C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c1-30-24(29)22-20(15-27-13-7-10-17(14-27)23(25)28)26-19-12-6-5-11-18(19)21(22)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H2,25,28)/p+1/t17-/m1/s1