ethanedioic acid; 4-piperidin-4-ylisoquinoline

Systemtic Name: ethanedioic acid; 4-piperidin-4-ylisoquinoline Openeye Name: oxalic acid; 4-(4-piperidyl)isoquinoline CAS Name: oxalic acid; 4-(4-piperidinyl)isoquinoline IUPAC Name: oxalic acid; 4-piperidin-4-ylisoquinoline Traditional Name: oxalic acid; 4-(4-piperidyl)isoquinoline Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CN=CC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

C1CNCCC1C2=CN=CC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16N2.C2H2O4/c1-2-4-13-12(3-1)9-16-10-14(13)11-5-7-15-8-6-11;3-1(4)2(5)6/h1-4,9-11,15H,5-8H2;(H,3,4)(H,5,6)