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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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