2-[3-(4-piperazin-1-ylphenyl)quinolin-2-yl]sulfanylethanal hydrochloride

Systemtic Name: 2-[3-(4-piperazin-1-ylphenyl)quinolin-2-yl]sulfanylethanal hydrochloride Openeye Name: 2-[[3-(4-piperazin-1-ylphenyl)-2-quinolyl]sulfanyl]acetaldehyde hydrochloride CAS Name: 2-[[3-[4-(1-piperazinyl)phenyl]-2-quinolinyl]thio]acetaldehyde hydrochloride IUPAC Name: 2-[3-(4-piperazin-1-ylphenyl)quinolin-2-yl]sulfanylacetaldehyde hydrochloride Traditional Name: 2-[[3-(4-piperazinophenyl)-2-quinolyl]thio]acetaldehyde hydrochloride Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O.Cl

InChI

InChI=1S/C21H21N3OS.ClH/c25-13-14-26-21-19(15-17-3-1-2-4-20(17)23-21)16-5-7-18(8-6-16)24-11-9-22-10-12-24;/h1-8,13,15,22H,9-12,14H2;1H