1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-phenyl-piperazine dihydrochloride

Systemtic Name: 1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-phenyl-piperazine dihydrochloride Openeye Name: 1-[(6,7-dimethoxyisochroman-1-yl)methyl]-4-phenyl-piperazine dihydrochloride CAS Name: 1-[(6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-phenylpiperazine dihydrochloride IUPAC Name: 1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-phenylpiperazine dihydrochloride Traditional Name: 1-[(6,7-dimethoxyisochroman-1-yl)methyl]-4-phenyl-piperazine dihydrochloride Formula: C22H30Cl2N2O3 MolecularWeight: 441.3912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(OCCC2=C1)CN3CCN(CC3)C4=CC=CC=C4)OC.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(OCCC2=C1)CN3CCN(CC3)C4=CC=CC=C4)OC.Cl.Cl

InChI

InChI=1S/C22H28N2O3.2ClH/c1-25-20-14-17-8-13-27-22(19(17)15-21(20)26-2)16-23-9-11-24(12-10-23)18-6-4-3-5-7-18;;/h3-7,14-15,22H,8-13,16H2,1-2H3;2*1H