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

Systemtic Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylamide Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OCC[NH+]3CCCCC3)OC)C#N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2)OCC[NH+]3CCCCC3)OC)/C#N

InChI

InChI=1S/C25H29N3O4/c1-30-22-9-5-4-8-21(22)27-25(29)20(18-26)16-19-10-11-23(24(17-19)31-2)32-15-14-28-12-6-3-7-13-28/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,29)/p+1/b20-16+