8-(3-fluoranyl-4-methoxy-phenyl)-N1-phenethyl-octane-1,6-diamine dihydrochloride

Systemtic Name: 8-(3-fluoranyl-4-methoxy-phenyl)-N1-phenethyl-octane-1,6-diamine dihydrochloride Openeye Name: 8-(3-fluoro-4-methoxy-phenyl)-N1-phenethyl-octane-1,6-diamine dihydrochloride CAS Name: 8-(3-fluoro-4-methoxyphenyl)-N1-phenethyloctane-1,6-diamine dihydrochloride IUPAC Name: 8-(3-fluoro-4-methoxyphenyl)-1-N-phenethyloctane-1,6-diamine dihydrochloride Traditional Name: [6-amino-8-(3-fluoro-4-methoxy-phenyl)octyl]-phenethyl-amine dihydrochloride Formula: C23H35Cl2FN2O MolecularWeight: 445.441203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(CCCCCNCCC2=CC=CC=C2)N)F.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(CCCCCNCCC2=CC=CC=C2)N)F.Cl.Cl

InChI

InChI=1S/C23H33FN2O.2ClH/c1-27-23-14-12-20(18-22(23)24)11-13-21(25)10-6-3-7-16-26-17-15-19-8-4-2-5-9-19;;/h2,4-5,8-9,12,14,18,21,26H,3,6-7,10-11,13,15-17,25H2,1H3;2*1H