2-methyl-4-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate

Systemtic Name: 2-methyl-4-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate Openeye Name: 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate CAS Name: 2-methyl-4-oxo-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinoline-8-carboxylate IUPAC Name: 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate Traditional Name: 4-keto-2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+]3CCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+]3CCCC3

InChI

InChI=1S/C16H18N2O3/c1-10-13(9-18-7-2-3-8-18)15(19)11-5-4-6-12(16(20)21)14(11)17-10/h4-6H,2-3,7-9H2,1H3,(H,17,19)(H,20,21)