3-(4-methoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)isoquinoline dihydrochloride

Systemtic Name: 3-(4-methoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)isoquinoline dihydrochloride Openeye Name: 3-(4-methoxyphenyl)-1-[4-(1-piperidyl)-1-piperidyl]isoquinoline dihydrochloride CAS Name: 3-(4-methoxyphenyl)-1-[4-(1-piperidinyl)-1-piperidinyl]isoquinoline dihydrochloride IUPAC Name: 3-(4-methoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)isoquinoline dihydrochloride Traditional Name: 3-(4-methoxyphenyl)-1-(4-piperidinopiperidino)isoquinoline dihydrochloride Formula: C26H33Cl2N3O MolecularWeight: 474.46572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCC(CC4)N5CCCCC5.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCC(CC4)N5CCCCC5.Cl.Cl

InChI

InChI=1S/C26H31N3O.2ClH/c1-30-23-11-9-20(10-12-23)25-19-21-7-3-4-8-24(21)26(27-25)29-17-13-22(14-18-29)28-15-5-2-6-16-28;;/h3-4,7-12,19,22H,2,5-6,13-18H2,1H3;2*1H