1-[4-(hydroxymethyl)piperidin-1-yl]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[4-(hydroxymethyl)piperidin-1-yl]isoquinoline-3-carboxylic acid Openeye Name: 1-[4-(hydroxymethyl)-1-piperidyl]isoquinoline-3-carboxylic acid CAS Name: 1-[4-(hydroxymethyl)-1-piperidinyl]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[4-(hydroxymethyl)piperidin-1-yl]isoquinoline-3-carboxylic acid Traditional Name: 1-(4-methylolpiperidino)isoquinoline-3-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CN(CCC1CO)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

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