1-[1-(3-bromanyl-4-methoxy-phenyl)-2-piperazin-1-yl-ethyl]cyclooctan-1-ol dihydrochloride

Systemtic Name: 1-[1-(3-bromanyl-4-methoxy-phenyl)-2-piperazin-1-yl-ethyl]cyclooctan-1-ol dihydrochloride Openeye Name: 1-[1-(3-bromo-4-methoxy-phenyl)-2-piperazin-1-yl-ethyl]cyclooctanol dihydrochloride CAS Name: 1-[1-(3-bromo-4-methoxyphenyl)-2-(1-piperazinyl)ethyl]-1-cyclooctanol dihydrochloride IUPAC Name: 1-[1-(3-bromo-4-methoxyphenyl)-2-piperazin-1-ylethyl]cyclooctan-1-ol dihydrochloride Traditional Name: 1-[1-(3-bromo-4-methoxy-phenyl)-2-piperazino-ethyl]cyclooctanol dihydrochloride Formula: C21H35BrCl2N2O2 MolecularWeight: 498.3248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCNCC2)C3(CCCCCCC3)O)Br.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN2CCNCC2)C3(CCCCCCC3)O)Br.Cl.Cl

InChI

InChI=1S/C21H33BrN2O2.2ClH/c1-26-20-8-7-17(15-19(20)22)18(16-24-13-11-23-12-14-24)21(25)9-5-3-2-4-6-10-21;;/h7-8,15,18,23,25H,2-6,9-14,16H2,1H3;2*1H