1-(4-ethylpiperazin-1-yl)-3-[(E)-2-pyridin-2-ylethenyl]isoquinoline trihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-pyridin-2-ylethenyl]isoquinoline trihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(2-pyridyl)vinyl]isoquinoline trihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[(E)-2-(2-pyridinyl)ethenyl]isoquinoline trihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-pyridin-2-ylethenyl]isoquinoline trihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[(E)-2-(2-pyridyl)vinyl]isoquinoline trihydrochloride Formula: C22H27Cl3N4 MolecularWeight: 453.83558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C=CC4=CC=CC=N4.Cl.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)/C=C/C4=CC=CC=N4.Cl.Cl.Cl

InChI

InChI=1S/C22H24N4.3ClH/c1-2-25-13-15-26(16-14-25)22-21-9-4-3-7-18(21)17-20(24-22)11-10-19-8-5-6-12-23-19;;;/h3-12,17H,2,13-16H2,1H3;3*1H/b11-10+;;;