1-(4-ethylpiperazin-1-yl)-3-[4-(3-methylsulfanylpropoxy)phenyl]isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-methylsulfanylpropoxy)phenyl]isoquinoline hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-methylsulfanylpropoxy)phenyl]isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-[3-(methylthio)propoxy]phenyl]isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-methylsulfanylpropoxy)phenyl]isoquinoline hydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[4-[3-(methylthio)propoxy]phenyl]isoquinoline hydrochloride Formula: C25H32ClN3OS MolecularWeight: 458.05908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3OS.ClH/c1-3-27-13-15-28(16-14-27)25-23-8-5-4-7-21(23)19-24(26-25)20-9-11-22(12-10-20)29-17-6-18-30-2;/h4-5,7-12,19H,3,6,13-18H2,1-2H3;1H