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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O.2ClH/c1-3-27-14-16-28(17-15-27)25-23-9-5-4-8-22(23)19-24(26-25)21-12-10-20(11-13-21)7-6-18-29-2;;/h4-5,8-13,19H,3,6-7,14-18H2,1-2H3;2*1H