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

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

CCC(C1=CSC2=C1C=C(C=C2)[N+](=O)[O-])(N3CCN(CC3)C4=CC=CC=C4OC)O.O.Cl.Cl

Isomeric SMILES

CCC(C1=CSC2=C1C=C(C=C2)[N+](=O)[O-])(N3CCN(CC3)C4=CC=CC=C4OC)O.O.Cl.Cl

InChI

InChI=1S/C22H25N3O4S.2ClH.H2O/c1-3-22(26,18-15-30-21-9-8-16(25(27)28)14-17(18)21)24-12-10-23(11-13-24)19-6-4-5-7-20(19)29-2;;;/h4-9,14-15,26H,3,10-13H2,1-2H3;2*1H;1H2