1-(4-ethylpiperazin-1-yl)-3-(6-ethylsulfonylpyridin-3-yl)isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(6-ethylsulfonylpyridin-3-yl)isoquinoline hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(6-ethylsulfonyl-3-pyridyl)isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(6-ethylsulfonyl-3-pyridinyl)isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(6-ethylsulfonylpyridin-3-yl)isoquinoline hydrochloride Traditional Name: 3-(6-esyl-3-pyridyl)-1-(4-ethylpiperazino)isoquinoline hydrochloride Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S.ClH/c1-3-25-11-13-26(14-12-25)22-19-8-6-5-7-17(19)15-20(24-22)18-9-10-21(23-16-18)29(27,28)4-2;/h5-10,15-16H,3-4,11-14H2,1-2H3;1H