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

Systemtic Name: propyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: propyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid propyl ester IUPAC Name: propyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-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+]3CCC(CC3)C)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC(CC3)C)C

InChI

InChI=1S/C21H28N2O3/c1-4-11-26-21(25)16-5-6-19-17(12-16)20(24)18(15(3)22-19)13-23-9-7-14(2)8-10-23/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,22,24)/p+1