3-(3,5-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride Openeye Name: 3-(3,5-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride CAS Name: 3-(3,5-dimethoxyphenyl)-1-(4-ethyl-1-piperazinyl)isoquinoline dihydrochloride IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride Traditional Name: 3-(3,5-dimethoxyphenyl)-1-(4-ethylpiperazino)isoquinoline dihydrochloride Formula: C23H29Cl2N3O2 MolecularWeight: 450.40126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=CC(=C4)OC)OC.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=CC(=C4)OC)OC.Cl.Cl

InChI

InChI=1S/C23H27N3O2.2ClH/c1-4-25-9-11-26(12-10-25)23-21-8-6-5-7-17(21)15-22(24-23)18-13-19(27-2)16-20(14-18)28-3;;/h5-8,13-16H,4,9-12H2,1-3H3;2*1H