1-(2-methylpiperidin-1-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-methylpiperidin-1-yl)isoquinoline-3-carboxylic acid Openeye Name: 1-(2-methyl-1-piperidyl)isoquinoline-3-carboxylic acid CAS Name: 1-(2-methyl-1-piperidinyl)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-methylpiperidin-1-yl)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-methylpiperidino)isoquinoline-3-carboxylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1CCCCN1C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H18N2O2/c1-11-6-4-5-9-18(11)15-13-8-3-2-7-12(13)10-14(17-15)16(19)20/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,19,20)