3-[4-(dimethylaminomethyl)-8-fluoranyl-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride

Systemtic Name: 3-[4-(dimethylaminomethyl)-8-fluoranyl-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride Openeye Name: 3-[4-(dimethylaminomethyl)-8-fluoro-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride CAS Name: 3-[4-(dimethylaminomethyl)-8-fluoro-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride IUPAC Name: 3-[4-(dimethylaminomethyl)-8-fluoro-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride Traditional Name: 3-[4-(dimethylaminomethyl)-8-fluoro-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride Formula: C19H21ClFNOS MolecularWeight: 365.892543

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=C(C=C(C=C2)F)SCC1)C3=CC(=CC=C3)O.Cl

Isomeric SMILES

CN(C)CC1=C(C2=C(C=C(C=C2)F)SCC1)C3=CC(=CC=C3)O.Cl

InChI

InChI=1S/C19H20FNOS.ClH/c1-21(2)12-14-8-9-23-18-11-15(20)6-7-17(18)19(14)13-4-3-5-16(22)10-13;/h3-7,10-11,22H,8-9,12H2,1-2H3;1H