[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]-(3-hydroxyphenyl)methanone hydrochloride

Systemtic Name: [4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]-(3-hydroxyphenyl)methanone hydrochloride Openeye Name: [4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]-(3-hydroxyphenyl)methanone hydrochloride CAS Name: [4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]-(3-hydroxyphenyl)methanone hydrochloride IUPAC Name: [4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]-(3-hydroxyphenyl)methanone hydrochloride Traditional Name: [4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]-(3-hydroxyphenyl)methanone hydrochloride Formula: C20H22ClNO2S MolecularWeight: 375.91218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=CC=CC=C2SCC1)C(=O)C3=CC(=CC=C3)O.Cl

Isomeric SMILES

CN(C)CC1=C(C2=CC=CC=C2SCC1)C(=O)C3=CC(=CC=C3)O.Cl

InChI

InChI=1S/C20H21NO2S.ClH/c1-21(2)13-15-10-11-24-18-9-4-3-8-17(18)19(15)20(23)14-6-5-7-16(22)12-14;/h3-9,12,22H,10-11,13H2,1-2H3;1H