(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acrylamide Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NCC[NH+]2CCCC2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCC[NH+]2CCCC2)OCC#N

InChI

InChI=1S/C18H23N3O3/c1-23-17-14-15(4-6-16(17)24-13-8-19)5-7-18(22)20-9-12-21-10-2-3-11-21/h4-7,14H,2-3,9-13H2,1H3,(H,20,22)/p+1/b7-5+