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

Systemtic Name: 4-[3-(5-bromanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-N-(pyridin-1-ium-3-ylmethyl)benzamide Openeye Name: 4-[3-(2-benzyloxy-5-bromo-phenyl)-2-thienyl]-N-(pyridin-1-ium-3-ylmethyl)benzamide CAS Name: 4-[3-(5-bromo-2-phenylmethoxyphenyl)-2-thiophenyl]-N-(3-pyridin-1-iumylmethyl)benzamide IUPAC Name: 4-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-N-(pyridin-1-ium-3-ylmethyl)benzamide Traditional Name: 4-[3-(2-benzoxy-5-bromo-phenyl)-2-thienyl]-N-(pyridin-1-ium-3-ylmethyl)benzamide Formula: C30H24BrN2O2S+ MolecularWeight: 556.49276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H23BrN2O2S/c31-25-12-13-28(35-20-21-5-2-1-3-6-21)27(17-25)26-14-16-36-29(26)23-8-10-24(11-9-23)30(34)33-19-22-7-4-15-32-18-22/h1-18H,19-20H2,(H,33,34)/p+1