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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride Openeye Name: 3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride CAS Name: 3-(3,4-dimethoxyphenyl)-1-(4-ethyl-1-piperazinyl)isoquinoline dihydrochloride IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride Traditional Name: 3-(3,4-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(=C(C=C4)OC)OC.Cl.Cl

Isomeric SMILES

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

InChI

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