2-[(2S)-1-heptyl-4-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-2-yl]ethanoic acid trihydrochloride

Systemtic Name: 2-[(2S)-1-heptyl-4-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-2-yl]ethanoic acid trihydrochloride Openeye Name: 2-[(2S)-1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazin-2-yl]acetic acid trihydrochloride CAS Name: 2-[(2S)-1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-2-piperazinyl]acetic acid trihydrochloride IUPAC Name: 2-[(2S)-1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-2-yl]acetic acid trihydrochloride Traditional Name: 2-[(2S)-1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazin-2-yl]acetic acid trihydrochloride Formula: C25H40Cl3N3O4 MolecularWeight: 552.9618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1CC(=O)O)CC(C2=C3C=C(C=CC3=NC=C2)OC)O.Cl.Cl.Cl

Isomeric SMILES

CCCCCCCN1CCN(C[C@@H]1CC(=O)O)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O.Cl.Cl.Cl

InChI

InChI=1S/C25H37N3O4.3ClH/c1-3-4-5-6-7-12-28-14-13-27(17-19(28)15-25(30)31)18-24(29)21-10-11-26-23-9-8-20(32-2)16-22(21)23;;;/h8-11,16,19,24,29H,3-7,12-15,17-18H2,1-2H3,(H,30,31);3*1H/t19-,24-;;;/m0.../s1