1-(4-ethylpiperazin-1-yl)-3-(4-ethylsulfonylphenyl)isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(4-ethylsulfonylphenyl)isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(4-ethylsulfonylphenyl)isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(4-ethylsulfonylphenyl)isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(4-ethylsulfonylphenyl)isoquinoline dihydrochloride Traditional Name: 3-(4-esylphenyl)-1-(4-ethylpiperazino)isoquinoline dihydrochloride Formula: C23H29Cl2N3O2S MolecularWeight: 482.46626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S.2ClH/c1-3-25-13-15-26(16-14-25)23-21-8-6-5-7-19(21)17-22(24-23)18-9-11-20(12-10-18)29(27,28)4-2;;/h5-12,17H,3-4,13-16H2,1-2H3;2*1H