1-(4-ethylpiperazin-1-yl)-3-[4-(4-methoxypiperidin-1-yl)phenyl]isoquinoline trihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(4-methoxypiperidin-1-yl)phenyl]isoquinoline trihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(4-methoxy-1-piperidyl)phenyl]isoquinoline trihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(4-methoxy-1-piperidinyl)phenyl]isoquinoline trihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(4-methoxypiperidin-1-yl)phenyl]isoquinoline trihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[4-(4-methoxypiperidino)phenyl]isoquinoline trihydrochloride Formula: C27H37Cl3N4O MolecularWeight: 539.96788

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)N5CCC(CC5)OC.Cl.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)N5CCC(CC5)OC.Cl.Cl.Cl

InChI

InChI=1S/C27H34N4O.3ClH/c1-3-29-16-18-31(19-17-29)27-25-7-5-4-6-22(25)20-26(28-27)21-8-10-23(11-9-21)30-14-12-24(32-2)13-15-30;;;/h4-11,20,24H,3,12-19H2,1-2H3;3*1H