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

Systemtic Name: 4-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-N-methyl-N-(pyridin-1-ium-3-ylmethyl)benzamide Openeye Name: 4-[3-(2-benzyloxy-5-chloro-phenyl)-2-thienyl]-N-methyl-N-(pyridin-1-ium-3-ylmethyl)benzamide CAS Name: 4-[3-(5-chloro-2-phenylmethoxyphenyl)-2-thiophenyl]-N-methyl-N-(3-pyridin-1-iumylmethyl)benzamide IUPAC Name: 4-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-N-methyl-N-(pyridin-1-ium-3-ylmethyl)benzamide Traditional Name: 4-[3-(2-benzoxy-5-chloro-phenyl)-2-thienyl]-N-methyl-N-(pyridin-1-ium-3-ylmethyl)benzamide Formula: C31H26ClN2O2S+ MolecularWeight: 526.06834

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C[NH+]=CC=C1)C(=O)C2=CC=C(C=C2)C3=C(C=CS3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

Isomeric SMILES

CN(CC1=C[NH+]=CC=C1)C(=O)C2=CC=C(C=C2)C3=C(C=CS3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C31H25ClN2O2S/c1-34(20-23-8-5-16-33-19-23)31(35)25-11-9-24(10-12-25)30-27(15-17-37-30)28-18-26(32)13-14-29(28)36-21-22-6-3-2-4-7-22/h2-19H,20-21H2,1H3/p+1