5-[1-(3-oxidanylpropyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile hydrochloride

Systemtic Name: 5-[1-(3-oxidanylpropyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile hydrochloride Openeye Name: 5-[[1-(3-hydroxypropyl)-4-piperidyl]oxy]isoquinoline-4-carbonitrile hydrochloride CAS Name: 5-[[1-(3-hydroxypropyl)-4-piperidinyl]oxy]-4-isoquinolinecarbonitrile hydrochloride IUPAC Name: 5-[1-(3-hydroxypropyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile hydrochloride Traditional Name: 5-[[1-(3-hydroxypropyl)-4-piperidyl]oxy]isoquinoline-4-carbonitrile hydrochloride Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2.ClH/c19-11-15-13-20-12-14-3-1-4-17(18(14)15)23-16-5-8-21(9-6-16)7-2-10-22;/h1,3-4,12-13,16,22H,2,5-10H2;1H