5-[1-(2-hydroxyethyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile hydrochloride

Systemtic Name: 5-[1-(2-hydroxyethyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile hydrochloride Openeye Name: 5-[[1-(2-hydroxyethyl)-4-piperidyl]oxy]isoquinoline-4-carbonitrile hydrochloride CAS Name: 5-[[1-(2-hydroxyethyl)-4-piperidinyl]oxy]-4-isoquinolinecarbonitrile hydrochloride IUPAC Name: 5-[1-(2-hydroxyethyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile hydrochloride Traditional Name: 5-[[1-(2-hydroxyethyl)-4-piperidyl]oxy]isoquinoline-4-carbonitrile hydrochloride Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC3=C2C(=CN=C3)C#N)CCO.Cl

Isomeric SMILES

C1CN(CCC1OC2=CC=CC3=C2C(=CN=C3)C#N)CCO.Cl

InChI

InChI=1S/C17H19N3O2.ClH/c18-10-14-12-19-11-13-2-1-3-16(17(13)14)22-15-4-6-20(7-5-15)8-9-21;/h1-3,11-12,15,21H,4-9H2;1H