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

Systemtic Name: 4-[3-[5-chloranyl-2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]thiophen-2-yl]-3-methyl-N-(pyridin-1-ium-3-ylmethyl)benzamide Openeye Name: 4-[3-[5-chloro-2-[(2-chloro-4-fluoro-phenyl)methoxy]phenyl]-2-thienyl]-3-methyl-N-(pyridin-1-ium-3-ylmethyl)benzamide CAS Name: 4-[3-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2-thiophenyl]-3-methyl-N-(3-pyridin-1-iumylmethyl)benzamide IUPAC Name: 4-[3-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]thiophen-2-yl]-3-methyl-N-(pyridin-1-ium-3-ylmethyl)benzamide Traditional Name: 4-[3-[5-chloro-2-(2-chloro-4-fluoro-benzyl)oxy-phenyl]-2-thienyl]-3-methyl-N-(pyridin-1-ium-3-ylmethyl)benzamide Formula: C31H24Cl2FN2O2S+ MolecularWeight: 578.503863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=C[NH+]=CC=C2)C3=C(C=CS3)C4=C(C=CC(=C4)Cl)OCC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=C[NH+]=CC=C2)C3=C(C=CS3)C4=C(C=CC(=C4)Cl)OCC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C31H23Cl2FN2O2S/c1-19-13-21(31(37)36-17-20-3-2-11-35-16-20)5-8-25(19)30-26(10-12-39-30)27-14-23(32)6-9-29(27)38-18-22-4-7-24(34)15-28(22)33/h2-16H,17-18H2,1H3,(H,36,37)/p+1