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

Systemtic Name: 3-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride Openeye Name: 3-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride CAS Name: 3-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride IUPAC Name: 3-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride Traditional Name: 3-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]phenol hydrochloride Formula: C20H24ClNO2S MolecularWeight: 377.92806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2S.ClH/c1-21(2)13-15-9-10-24-19-12-17(23-3)7-8-18(19)20(15)14-5-4-6-16(22)11-14;/h4-8,11-12,22H,9-10,13H2,1-3H3;1H