4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-N-(pyridin-1-ium-3-ylmethyl)benzamide

Systemtic Name: 4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-N-(pyridin-1-ium-3-ylmethyl)benzamide Openeye Name: 4-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)-2-thienyl]-N-(pyridin-1-ium-3-ylmethyl)benzamide CAS Name: 4-[3-[5-(methylthio)-2-phenylmethoxyphenyl]-2-thiophenyl]-N-(3-pyridin-1-iumylmethyl)benzamide IUPAC Name: 4-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)thiophen-2-yl]-N-(pyridin-1-ium-3-ylmethyl)benzamide Traditional Name: 4-[3-[2-benzoxy-5-(methylthio)phenyl]-2-thienyl]-N-(pyridin-1-ium-3-ylmethyl)benzamide Formula: C31H27N2O2S2+ MolecularWeight: 523.68828

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)NCC5=C[NH+]=CC=C5

Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)NCC5=C[NH+]=CC=C5

InChI

InChI=1S/C31H26N2O2S2/c1-36-26-13-14-29(35-21-22-6-3-2-4-7-22)28(18-26)27-15-17-37-30(27)24-9-11-25(12-10-24)31(34)33-20-23-8-5-16-32-19-23/h2-19H,20-21H2,1H3,(H,33,34)/p+1