3-[2-[4-(3-methylbut-2-enyl)piperazin-1-yl]-2-phenyl-ethyl]phenol hydrate dihydrochloride

Systemtic Name: 3-[2-[4-(3-methylbut-2-enyl)piperazin-1-yl]-2-phenyl-ethyl]phenol hydrate dihydrochloride Openeye Name: 3-[2-[4-(3-methylbut-2-enyl)piperazin-1-yl]-2-phenyl-ethyl]phenol hydrate dihydrochloride CAS Name: 3-[2-[4-(3-methylbut-2-enyl)-1-piperazinyl]-2-phenylethyl]phenol hydrate dihydrochloride IUPAC Name: 3-[2-[4-(3-methylbut-2-enyl)piperazin-1-yl]-2-phenylethyl]phenol hydrate dihydrochloride Traditional Name: 3-[2-[4-(3-methylbut-2-enyl)piperazino]-2-phenyl-ethyl]phenol hydrate dihydrochloride Formula: C23H34Cl2N2O2 MolecularWeight: 441.43426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCN(CC1)C(CC2=CC(=CC=C2)O)C3=CC=CC=C3)C.O.Cl.Cl

Isomeric SMILES

CC(=CCN1CCN(CC1)C(CC2=CC(=CC=C2)O)C3=CC=CC=C3)C.O.Cl.Cl

InChI

InChI=1S/C23H30N2O.2ClH.H2O/c1-19(2)11-12-24-13-15-25(16-14-24)23(21-8-4-3-5-9-21)18-20-7-6-10-22(26)17-20;;;/h3-11,17,23,26H,12-16,18H2,1-2H3;2*1H;1H2