N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenyl-piperidin-3-amine dihydrate trihydrochloride

Systemtic Name: N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenyl-piperidin-3-amine dihydrate trihydrochloride Openeye Name: N-[(2-methoxy-5-thiazol-2-yl-phenyl)methyl]-2-phenyl-piperidin-3-amine dihydrate trihydrochloride CAS Name: N-[[2-methoxy-5-(2-thiazolyl)phenyl]methyl]-2-phenyl-3-piperidinamine dihydrate trihydrochloride IUPAC Name: N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine dihydrate trihydrochloride Traditional Name: (2-methoxy-5-thiazol-2-yl-benzyl)-(2-phenyl-3-piperidyl)amine dihydrate trihydrochloride Formula: C22H32Cl3N3O3S MolecularWeight: 524.93178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC=CS2)CNC3CCCNC3C4=CC=CC=C4.O.O.Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC=CS2)CNC3CCCNC3C4=CC=CC=C4.O.O.Cl.Cl.Cl

InChI

InChI=1S/C22H25N3OS.3ClH.2H2O/c1-26-20-10-9-17(22-24-12-13-27-22)14-18(20)15-25-19-8-5-11-23-21(19)16-6-3-2-4-7-16;;;;;/h2-4,6-7,9-10,12-14,19,21,23,25H,5,8,11,15H2,1H3;3*1H;2*1H2