6-[5-(pyrrolidin-2-ylmethoxy)pyridin-3-yl]hex-5-ynenitrile dihydrochloride

Systemtic Name: 6-[5-(pyrrolidin-2-ylmethoxy)pyridin-3-yl]hex-5-ynenitrile dihydrochloride Openeye Name: 6-[5-(pyrrolidin-2-ylmethoxy)-3-pyridyl]hex-5-ynenitrile dihydrochloride CAS Name: 6-[5-(2-pyrrolidinylmethoxy)-3-pyridinyl]-5-hexynenitrile dihydrochloride IUPAC Name: 6-[5-(pyrrolidin-2-ylmethoxy)pyridin-3-yl]hex-5-ynenitrile dihydrochloride Traditional Name: 6-[5-(pyrrolidin-2-ylmethoxy)-3-pyridyl]hex-5-ynenitrile dihydrochloride Formula: C16H21Cl2N3O MolecularWeight: 342.26344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)COC2=CN=CC(=C2)C#CCCCC#N.Cl.Cl

Isomeric SMILES

C1CC(NC1)COC2=CN=CC(=C2)C#CCCCC#N.Cl.Cl

InChI

InChI=1S/C16H19N3O.2ClH/c17-8-4-2-1-3-6-14-10-16(12-18-11-14)20-13-15-7-5-9-19-15;;/h10-12,15,19H,1-2,4-5,7,9,13H2;2*1H