ethanedioic acid; 4-isoquinolin-4-yl-1-(3-phenoxypropyl)piperidin-4-ol

Systemtic Name: ethanedioic acid; 4-isoquinolin-4-yl-1-(3-phenoxypropyl)piperidin-4-ol Openeye Name: 4-(4-isoquinolyl)-1-(3-phenoxypropyl)piperidin-4-ol; oxalic acid CAS Name: 4-(4-isoquinolinyl)-1-(3-phenoxypropyl)-4-piperidinol; oxalic acid IUPAC Name: 4-isoquinolin-4-yl-1-(3-phenoxypropyl)piperidin-4-ol; oxalic acid Traditional Name: 4-(4-isoquinolyl)-1-(3-phenoxypropyl)piperidin-4-ol; oxalic acid Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CN=CC3=CC=CC=C32)O)CCCOC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1(C2=CN=CC3=CC=CC=C32)O)CCCOC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2O2.C2H2O4/c26-23(22-18-24-17-19-7-4-5-10-21(19)22)11-14-25(15-12-23)13-6-16-27-20-8-2-1-3-9-20;3-1(4)2(5)6/h1-5,7-10,17-18,26H,6,11-16H2;(H,3,4)(H,5,6)