1-[3-(5-bromanyl-1-benzothiophen-3-yl)propyl]-4-(3-methoxypyridin-2-yl)piperazine hydrochloride

Systemtic Name: 1-[3-(5-bromanyl-1-benzothiophen-3-yl)propyl]-4-(3-methoxypyridin-2-yl)piperazine hydrochloride Openeye Name: 1-[3-(5-bromobenzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridyl)piperazine hydrochloride CAS Name: 1-[3-(5-bromo-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine hydrochloride IUPAC Name: 1-[3-(5-bromo-1-benzothiophen-3-yl)propyl]-4-(3-methoxypyridin-2-yl)piperazine hydrochloride Traditional Name: 1-[3-(5-bromobenzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridyl)piperazine hydrochloride Formula: C21H25BrClN3OS MolecularWeight: 482.8647

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)N2CCN(CC2)CCCC3=CSC4=C3C=C(C=C4)Br.Cl

Isomeric SMILES

COC1=C(N=CC=C1)N2CCN(CC2)CCCC3=CSC4=C3C=C(C=C4)Br.Cl

InChI

InChI=1S/C21H24BrN3OS.ClH/c1-26-19-5-2-8-23-21(19)25-12-10-24(11-13-25)9-3-4-16-15-27-20-7-6-17(22)14-18(16)20;/h2,5-8,14-15H,3-4,9-13H2,1H3;1H