4-[3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]prop-1-ynyl]thian-4-ol hydrochloride

Systemtic Name: 4-[3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]prop-1-ynyl]thian-4-ol hydrochloride Openeye Name: 4-[3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]prop-1-ynyl]tetrahydrothiopyran-4-ol hydrochloride CAS Name: 4-[3-[2-methoxy-5-(1-pyrrolidinylmethyl)phenoxy]prop-1-ynyl]-4-thianol hydrochloride IUPAC Name: 4-[3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]prop-1-ynyl]thian-4-ol hydrochloride Traditional Name: 4-[3-[2-methoxy-5-(pyrrolidinomethyl)phenoxy]prop-1-ynyl]tetrahydrothiopyran-4-ol hydrochloride Formula: C20H28ClNO3S MolecularWeight: 397.95922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCC2)OCC#CC3(CCSCC3)O.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCC2)OCC#CC3(CCSCC3)O.Cl

InChI

InChI=1S/C20H27NO3S.ClH/c1-23-18-6-5-17(16-21-10-2-3-11-21)15-19(18)24-12-4-7-20(22)8-13-25-14-9-20;/h5-6,15,22H,2-3,8-14,16H2,1H3;1H