3,3-dimethyl-1-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]butan-1-one dihydrochloride

Systemtic Name: 3,3-dimethyl-1-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]butan-1-one dihydrochloride Openeye Name: 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3,3-dimethyl-butan-1-one dihydrochloride CAS Name: 3,3-dimethyl-1-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-butanone dihydrochloride IUPAC Name: 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3,3-dimethylbutan-1-one dihydrochloride Traditional Name: 1-[4-(4-benzylpiperazino)phenyl]-3,3-dimethyl-butan-1-one dihydrochloride Formula: C23H32Cl2N2O MolecularWeight: 423.41898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(C)(C)CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C23H30N2O.2ClH/c1-23(2,3)17-22(26)20-9-11-21(12-10-20)25-15-13-24(14-16-25)18-19-7-5-4-6-8-19;;/h4-12H,13-18H2,1-3H3;2*1H