2-[3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]-N-(pyridin-1-ium-3-ylmethyl)ethanamide

Systemtic Name: 2-[3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]-N-(pyridin-1-ium-3-ylmethyl)ethanamide Openeye Name: 2-[3-[3-(2-benzyloxy-5-chloro-phenyl)-2-thienyl]phenyl]-N-(pyridin-1-ium-3-ylmethyl)acetamide CAS Name: 2-[3-[3-(5-chloro-2-phenylmethoxyphenyl)-2-thiophenyl]phenyl]-N-(3-pyridin-1-iumylmethyl)acetamide IUPAC Name: 2-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-N-(pyridin-1-ium-3-ylmethyl)acetamide Traditional Name: 2-[3-[3-(2-benzoxy-5-chloro-phenyl)-2-thienyl]phenyl]-N-(pyridin-1-ium-3-ylmethyl)acetamide Formula: C31H26ClN2O2S+ MolecularWeight: 526.06834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=C(SC=C3)C4=CC(=CC=C4)CC(=O)NCC5=C[NH+]=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=C(SC=C3)C4=CC(=CC=C4)CC(=O)NCC5=C[NH+]=CC=C5

InChI

InChI=1S/C31H25ClN2O2S/c32-26-11-12-29(36-21-22-6-2-1-3-7-22)28(18-26)27-13-15-37-31(27)25-10-4-8-23(16-25)17-30(35)34-20-24-9-5-14-33-19-24/h1-16,18-19H,17,20-21H2,(H,34,35)/p+1