2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-yl-propan-1-one dihydrate dihydrochloride

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-yl-propan-1-one dihydrate dihydrochloride Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-thienyl)propan-1-one dihydrate dihydrochloride CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-(3-thiophenyl)-1-propanone dihydrate dihydrochloride IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one dihydrate dihydrochloride Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-1-(3-thienyl)propan-1-one dihydrate dihydrochloride Formula: C18H28Cl2N2O4S MolecularWeight: 439.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CSC=C1)N2CCN(CC2)C3=CC=CC=C3OC.O.O.Cl.Cl

Isomeric SMILES

CC(C(=O)C1=CSC=C1)N2CCN(CC2)C3=CC=CC=C3OC.O.O.Cl.Cl

InChI

InChI=1S/C18H22N2O2S.2ClH.2H2O/c1-14(18(21)15-7-12-23-13-15)19-8-10-20(11-9-19)16-5-3-4-6-17(16)22-2;;;;/h3-7,12-14H,8-11H2,1-2H3;2*1H;2*1H2