ethyl 6-(dimethylamino)-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 6-(dimethylamino)-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 6-(dimethylamino)-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 6-(dimethylamino)-3-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(dimethylamino)-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 6-(dimethylamino)-4-keto-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinoline-2-carboxylic acid ethyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCC[C@H](C3)C

InChI

InChI=1S/C21H29N3O3/c1-5-27-21(26)19-17(13-24-10-6-7-14(2)12-24)20(25)16-11-15(23(3)4)8-9-18(16)22-19/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H,22,25)/p+1/t14-/m1/s1