1-(4-ethylpiperazin-1-yl)-3-(4-phenylmethoxybutyl)isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(4-phenylmethoxybutyl)isoquinoline dihydrochloride Openeye Name: 3-(4-benzyloxybutyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(4-phenylmethoxybutyl)isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(4-phenylmethoxybutyl)isoquinoline dihydrochloride Traditional Name: 3-(4-benzoxybutyl)-1-(4-ethylpiperazino)isoquinoline dihydrochloride Formula: C26H35Cl2N3O MolecularWeight: 476.4816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CCCCOCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CCCCOCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C26H33N3O.2ClH/c1-2-28-15-17-29(18-16-28)26-25-14-7-6-12-23(25)20-24(27-26)13-8-9-19-30-21-22-10-4-3-5-11-22;;/h3-7,10-12,14,20H,2,8-9,13,15-19,21H2,1H3;2*1H