ethyl 4-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-2-carboxylate Openeye Name: ethyl 4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-2-carboxylate CAS Name: 4-oxo-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-2-carboxylate Traditional Name: 4-keto-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-2-carboxylic acid ethyl ester Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCCC3

InChI

InChI=1S/C17H20N2O3/c1-2-22-17(21)15-13(11-19-9-5-6-10-19)16(20)12-7-3-4-8-14(12)18-15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,18,20)/p+1