3-[[4-(2-dimethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol hydrochloride

Systemtic Name: 3-[[4-(2-dimethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol hydrochloride Openeye Name: 3-[[4-(2-dimethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol hydrochloride CAS Name: 3-[[4-(2-dimethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol hydrochloride IUPAC Name: 3-[[4-(2-dimethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol hydrochloride Traditional Name: 3-[4-(2-dimethylaminoethyloxy)benzyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol hydrochloride Formula: C25H26ClNO3S MolecularWeight: 455.99684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O.Cl

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O.Cl

InChI

InChI=1S/C25H25NO3S.ClH/c1-26(2)13-14-29-21-10-3-17(4-11-21)15-23-22-12-9-20(28)16-24(22)30-25(23)18-5-7-19(27)8-6-18;/h3-12,16,27-28H,13-15H2,1-2H3;1H