1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-5-methyl-isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-5-methyl-isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-5-methyl-isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(4-methoxyphenyl)-5-methylisoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-5-methylisoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-(4-methoxyphenyl)-5-methyl-isoquinoline dihydrochloride Formula: C23H29Cl2N3O MolecularWeight: 434.40186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C=CC=C(C3=CC(=N2)C4=CC=C(C=C4)OC)C.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C3C=CC=C(C3=CC(=N2)C4=CC=C(C=C4)OC)C.Cl.Cl

InChI

InChI=1S/C23H27N3O.2ClH/c1-4-25-12-14-26(15-13-25)23-20-7-5-6-17(2)21(20)16-22(24-23)18-8-10-19(27-3)11-9-18;;/h5-11,16H,4,12-15H2,1-3H3;2*1H