ethyl 2-methyl-4-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 2-methyl-4-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate CAS Name: 2-methyl-4-oxo-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylic acid ethyl ester Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC3)C

InChI

InChI=1S/C18H22N2O3/c1-3-23-18(22)13-6-7-16-14(10-13)17(21)15(12(2)19-16)11-20-8-4-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,21)/p+1