2-[4-(hydroxymethyl)piperidin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(hydroxymethyl)piperidin-1-yl]quinoline-4-carboxylic acid Openeye Name: 2-[4-(hydroxymethyl)-1-piperidyl]quinoline-4-carboxylic acid CAS Name: 2-[4-(hydroxymethyl)-1-piperidinyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(hydroxymethyl)piperidin-1-yl]quinoline-4-carboxylic acid Traditional Name: 2-(4-methylolpiperidino)cinchoninic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

C1CN(CCC1CO)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C16H18N2O3/c19-10-11-5-7-18(8-6-11)15-9-13(16(20)21)12-3-1-2-4-14(12)17-15/h1-4,9,11,19H,5-8,10H2,(H,20,21)