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

Systemtic Name: 2-[3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]-N-methyl-N-(pyridin-1-ium-3-ylmethyl)ethanamide Openeye Name: 2-[3-[3-(2-benzyloxy-5-chloro-phenyl)-2-thienyl]phenyl]-N-methyl-N-(pyridin-1-ium-3-ylmethyl)acetamide CAS Name: 2-[3-[3-(5-chloro-2-phenylmethoxyphenyl)-2-thiophenyl]phenyl]-N-methyl-N-(3-pyridin-1-iumylmethyl)acetamide IUPAC Name: 2-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-N-methyl-N-(pyridin-1-ium-3-ylmethyl)acetamide Traditional Name: 2-[3-[3-(2-benzoxy-5-chloro-phenyl)-2-thienyl]phenyl]-N-methyl-N-(pyridin-1-ium-3-ylmethyl)acetamide Formula: C32H28ClN2O2S+ MolecularWeight: 540.09492

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C[NH+]=CC=C1)C(=O)CC2=CC=CC(=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)CC2=CC=CC(=C2)C3=C(C=CS3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C32H27ClN2O2S/c1-35(21-25-10-6-15-34-20-25)31(36)18-24-9-5-11-26(17-24)32-28(14-16-38-32)29-19-27(33)12-13-30(29)37-22-23-7-3-2-4-8-23/h2-17,19-20H,18,21-22H2,1H3/p+1