3-carboxy-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-6-carboxylate

Systemtic Name: 3-carboxy-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-6-carboxylate Openeye Name: 3-carboxy-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-6-carboxylate CAS Name: 3-carboxy-4-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]-6-quinolinecarboxylate IUPAC Name: 3-carboxy-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-6-carboxylate Traditional Name: 3-carboxy-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-6-carboxylate Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC2=C3C=C(C=CC3=NC=C2C(=O)O)C(=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC2=C3C=C(C=CC3=NC=C2C(=O)O)C(=O)[O-])C

InChI

InChI=1S/C20H25N3O4/c1-19(2)8-12(9-20(3,4)23-19)22-16-13-7-11(17(24)25)5-6-15(13)21-10-14(16)18(26)27/h5-7,10,12,23H,8-9H2,1-4H3,(H,21,22)(H,24,25)(H,26,27)