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

Systemtic Name: 2-methyl-4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate Openeye Name: 2-methyl-4-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate CAS Name: 2-methyl-4-oxo-3-(1-piperidin-1-iumylmethyl)-1H-quinoline-8-carboxylate IUPAC Name: 2-methyl-4-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate Traditional Name: 4-keto-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate Formula: C17H20N2O3 MolecularWeight: 300.3523

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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+]3CCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+]3CCCCC3

InChI

InChI=1S/C17H20N2O3/c1-11-14(10-19-8-3-2-4-9-19)16(20)12-6-5-7-13(17(21)22)15(12)18-11/h5-7H,2-4,8-10H2,1H3,(H,18,20)(H,21,22)