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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methylsulfonylphenyl)isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methylsulfonylphenyl)isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(4-methylsulfonylphenyl)isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methylsulfonylphenyl)isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-(4-mesylphenyl)isoquinoline dihydrochloride Formula: C22H27Cl2N3O2S MolecularWeight: 468.43968

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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)C.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S.2ClH/c1-3-24-12-14-25(15-13-24)22-20-7-5-4-6-18(20)16-21(23-22)17-8-10-19(11-9-17)28(2,26)27;;/h4-11,16H,3,12-15H2,1-2H3;2*1H