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

Systemtic Name: 3-[[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]methyl]phenol hydrochloride Openeye Name: 3-[[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]methyl]phenol hydrochloride CAS Name: 3-[[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]methyl]phenol hydrochloride IUPAC Name: 3-[[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]methyl]phenol hydrochloride Traditional Name: 3-[[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]methyl]phenol hydrochloride Formula: C20H24ClNOS MolecularWeight: 361.92866

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=CC=CC=C2SCC1)CC3=CC(=CC=C3)O.Cl

Isomeric SMILES

CN(C)CC1=C(C2=CC=CC=C2SCC1)CC3=CC(=CC=C3)O.Cl

InChI

InChI=1S/C20H23NOS.ClH/c1-21(2)14-16-10-11-23-20-9-4-3-8-18(20)19(16)13-15-6-5-7-17(22)12-15;/h3-9,12,22H,10-11,13-14H2,1-2H3;1H