1-(4-ethylpiperazin-1-yl)-3-[5-(oxan-4-yl)thiophen-2-yl]isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[5-(oxan-4-yl)thiophen-2-yl]isoquinoline hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(5-tetrahydropyran-4-yl-2-thienyl)isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[5-(4-oxanyl)-2-thiophenyl]isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[5-(oxan-4-yl)thiophen-2-yl]isoquinoline hydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-(5-tetrahydropyran-4-yl-2-thienyl)isoquinoline hydrochloride Formula: C24H30ClN3OS MolecularWeight: 444.0325

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(S4)C5CCOCC5.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(S4)C5CCOCC5.Cl

InChI

InChI=1S/C24H29N3OS.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;/h3-8,17-18H,2,9-16H2,1H3;1H