N-(3-imidazol-1-ylpropyl)-2-methyl-1-(4-methylsulfanylphenoxy)propan-2-amine hydrate dihydrochloride

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-methyl-1-(4-methylsulfanylphenoxy)propan-2-amine hydrate dihydrochloride Openeye Name: N-(3-imidazol-1-ylpropyl)-2-methyl-1-(4-methylsulfanylphenoxy)propan-2-amine hydrate dihydrochloride CAS Name: N-[3-(1-imidazolyl)propyl]-2-methyl-1-[4-(methylthio)phenoxy]-2-propanamine hydrate dihydrochloride IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-methyl-1-(4-methylsulfanylphenoxy)propan-2-amine hydrate dihydrochloride Traditional Name: [1,1-dimethyl-2-[4-(methylthio)phenoxy]ethyl]-(3-imidazol-1-ylpropyl)amine hydrate dihydrochloride Formula: C17H29Cl2N3O2S MolecularWeight: 410.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=C(C=C1)SC)NCCCN2C=CN=C2.O.Cl.Cl

Isomeric SMILES

CC(C)(COC1=CC=C(C=C1)SC)NCCCN2C=CN=C2.O.Cl.Cl

InChI

InChI=1S/C17H25N3OS.2ClH.H2O/c1-17(2,19-9-4-11-20-12-10-18-14-20)13-21-15-5-7-16(22-3)8-6-15;;;/h5-8,10,12,14,19H,4,9,11,13H2,1-3H3;2*1H;1H2