2-methyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-8-carboxylic acid

Systemtic Name: 2-methyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-8-carboxylic acid Openeye Name: 2-methyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-8-carboxylic acid CAS Name: 2-methyl-4-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]-8-quinolinecarboxylic acid IUPAC Name: 2-methyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-8-carboxylic acid Traditional Name: 2-methyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoline-8-carboxylic acid Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2C(=O)O)C(=C1)NC3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CC1=NC2=C(C=CC=C2C(=O)O)C(=C1)NC3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C20H27N3O2/c1-12-9-16(14-7-6-8-15(18(24)25)17(14)21-12)22-13-10-19(2,3)23-20(4,5)11-13/h6-9,13,23H,10-11H2,1-5H3,(H,21,22)(H,24,25)/p+1