2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenyl-ethyl]piperazin-1-yl]-1-thiophen-2-yl-propan-1-one dihydrochloride

Systemtic Name: 2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenyl-ethyl]piperazin-1-yl]-1-thiophen-2-yl-propan-1-one dihydrochloride Openeye Name: 3-[4-(2-isopentyloxy-2-phenyl-ethyl)piperazin-1-yl]-2-methyl-1-(2-thienyl)propan-1-one dihydrochloride CAS Name: 2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]-1-piperazinyl]-1-thiophen-2-yl-1-propanone dihydrochloride IUPAC Name: 2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-1-one dihydrochloride Traditional Name: 3-[4-(2-isoamoxy-2-phenyl-ethyl)piperazino]-2-methyl-1-(2-thienyl)propan-1-one dihydrochloride Formula: C25H38Cl2N2O2S MolecularWeight: 501.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CS2)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(C)CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CS2)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C25H36N2O2S.2ClH/c1-20(2)11-16-29-23(22-8-5-4-6-9-22)19-27-14-12-26(13-15-27)18-21(3)25(28)24-10-7-17-30-24;;/h4-10,17,20-21,23H,11-16,18-19H2,1-3H3;2*1H