3-[5-(3,6-dihydro-2H-pyran-4-yl)thiophen-2-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride

Systemtic Name: 3-[5-(3,6-dihydro-2H-pyran-4-yl)thiophen-2-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride Openeye Name: 3-[5-(3,6-dihydro-2H-pyran-4-yl)-2-thienyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride CAS Name: 3-[5-(3,6-dihydro-2H-pyran-4-yl)-2-thiophenyl]-1-(4-ethyl-1-piperazinyl)isoquinoline hydrochloride IUPAC Name: 3-[5-(3,6-dihydro-2H-pyran-4-yl)thiophen-2-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride Traditional Name: 3-[5-(3,6-dihydro-2H-pyran-4-yl)-2-thienyl]-1-(4-ethylpiperazino)isoquinoline hydrochloride Formula: C24H28ClN3OS MolecularWeight: 442.01662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(S4)C5=CCOCC5.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(S4)C5=CCOCC5.Cl

InChI

InChI=1S/C24H27N3OS.ClH/c1-2-26-11-13-27(14-12-26)24-20-6-4-3-5-19(20)17-21(25-24)23-8-7-22(29-23)18-9-15-28-16-10-18;/h3-9,17H,2,10-16H2,1H3;1H