4-[2-[(3S,4R)-3-ethenylpiperidin-4-yl]ethyl]-6-methoxy-quinoline hydrate dihydrochloride

Systemtic Name: 4-[2-[(3S,4R)-3-ethenylpiperidin-4-yl]ethyl]-6-methoxy-quinoline hydrate dihydrochloride Openeye Name: 6-methoxy-4-[2-[(3S,4R)-3-vinyl-4-piperidyl]ethyl]quinoline hydrate dihydrochloride CAS Name: 4-[2-[(3S,4R)-3-ethenyl-4-piperidinyl]ethyl]-6-methoxyquinoline hydrate dihydrochloride IUPAC Name: 4-[2-[(3S,4R)-3-ethenylpiperidin-4-yl]ethyl]-6-methoxyquinoline hydrate dihydrochloride Traditional Name: 6-methoxy-4-[2-[(3S,4R)-3-vinyl-4-piperidyl]ethyl]quinoline hydrate dihydrochloride Formula: C19H28Cl2N2O2 MolecularWeight: 387.34382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCC3CCNCC3C=C.O.Cl.Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CC[C@@H]3CCNC[C@H]3C=C.O.Cl.Cl

InChI

InChI=1S/C19H24N2O.2ClH.H2O/c1-3-14-13-20-10-8-15(14)4-5-16-9-11-21-19-7-6-17(22-2)12-18(16)19;;;/h3,6-7,9,11-12,14-15,20H,1,4-5,8,10,13H2,2H3;2*1H;1H2/t14-,15-;;;/m1.../s1