1-(4-ethylpiperazin-1-yl)-3-[4-(1-methoxypropyl)phenyl]isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(1-methoxypropyl)phenyl]isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(1-methoxypropyl)phenyl]isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(1-methoxypropyl)phenyl]isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(1-methoxypropyl)phenyl]isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[4-(1-methoxypropyl)phenyl]isoquinoline dihydrochloride Formula: C25H33Cl2N3O MolecularWeight: 462.45502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)OC.Cl.Cl

Isomeric SMILES

CCC(C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)OC.Cl.Cl

InChI

InChI=1S/C25H31N3O.2ClH/c1-4-24(29-3)20-12-10-19(11-13-20)23-18-21-8-6-7-9-22(21)25(26-23)28-16-14-27(5-2)15-17-28;;/h6-13,18,24H,4-5,14-17H2,1-3H3;2*1H