ethanedioic acid; (2R)-4-(hexylamino)-1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-ol

Systemtic Name: ethanedioic acid; (2R)-4-(hexylamino)-1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-ol Openeye Name: (2R)-4-(hexylamino)-1-[2-(6-methoxy-4-quinolyl)ethyl]piperidin-2-ol; oxalic acid CAS Name: (2R)-4-(hexylamino)-1-[2-(6-methoxy-4-quinolinyl)ethyl]-2-piperidinol; oxalic acid IUPAC Name: (2R)-4-(hexylamino)-1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-ol; oxalic acid Traditional Name: (2R)-4-(hexylamino)-1-[2-(6-methoxy-4-quinolyl)ethyl]piperidin-2-ol; oxalic acid Formula: C25H37N3O6 MolecularWeight: 475.57778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1CCN(C(C1)O)CCC2=C3C=C(C=CC3=NC=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCNC1CCN([C@@H](C1)O)CCC2=C3C=C(C=CC3=NC=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H35N3O2.C2H2O4/c1-3-4-5-6-12-24-19-11-15-26(23(27)16-19)14-10-18-9-13-25-22-8-7-20(28-2)17-21(18)22;3-1(4)2(5)6/h7-9,13,17,19,23-24,27H,3-6,10-12,14-16H2,1-2H3;(H,3,4)(H,5,6)/t19?,23-;/m1./s1