(E)-N-(5-chloranyl-2-methoxy-phenyl)-2-cyano-3-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enamide

Systemtic Name: (E)-N-(5-chloranyl-2-methoxy-phenyl)-2-cyano-3-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enamide Openeye Name: (E)-N-(5-chloro-2-methoxy-phenyl)-2-cyano-3-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enamide CAS Name: (E)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-[3-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenamide IUPAC Name: (E)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enamide Traditional Name: (E)-N-(5-chloro-2-methoxy-phenyl)-2-cyano-3-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylamide Formula: C25H29ClN3O4+ MolecularWeight: 470.96846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC(=C(C=C2)OCC[NH+]3CCCCC3)OC)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)/C(=C/C2=CC(=C(C=C2)OCC[NH+]3CCCCC3)OC)/C#N

InChI

InChI=1S/C25H28ClN3O4/c1-31-22-9-7-20(26)16-21(22)28-25(30)19(17-27)14-18-6-8-23(24(15-18)32-2)33-13-12-29-10-4-3-5-11-29/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,28,30)/p+1/b19-14+