3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-ol hydrate dihydrochloride

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-ol hydrate dihydrochloride Openeye Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitrobenzothiophen-3-yl)propan-1-ol hydrate dihydrochloride CAS Name: 3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-(5-nitro-1-benzothiophen-3-yl)-1-propanol hydrate dihydrochloride IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-ol hydrate dihydrochloride Traditional Name: 3-[4-(2-methoxyphenyl)piperazino]-1-(5-nitrobenzothiophen-3-yl)propan-1-ol hydrate dihydrochloride Formula: C22H29Cl2N3O5S MolecularWeight: 518.45376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CSC4=C3C=C(C=C4)[N+](=O)[O-])O.O.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CSC4=C3C=C(C=C4)[N+](=O)[O-])O.O.Cl.Cl

InChI

InChI=1S/C22H25N3O4S.2ClH.H2O/c1-29-21-5-3-2-4-19(21)24-12-10-23(11-13-24)9-8-20(26)18-15-30-22-7-6-16(25(27)28)14-17(18)22;;;/h2-7,14-15,20,26H,8-13H2,1H3;2*1H;1H2