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

Systemtic Name: propyl 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: propyl 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-3-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinoline-6-carboxylic acid propyl ester IUPAC Name: propyl 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinoline-6-carboxylic acid propyl ester Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC(C3)C)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC[C@H](C3)C)C

InChI

InChI=1S/C21H28N2O3/c1-4-10-26-21(25)16-7-8-19-17(11-16)20(24)18(15(3)22-19)13-23-9-5-6-14(2)12-23/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H,22,24)/p+1/t14-/m1/s1