(E)-3-(3,4-dimethoxyphenyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acrylamide Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCCC[NH+]2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NCCC[NH+]2CCCC2)OC

InChI

InChI=1S/C18H26N2O3/c1-22-16-8-6-15(14-17(16)23-2)7-9-18(21)19-10-5-13-20-11-3-4-12-20/h6-9,14H,3-5,10-13H2,1-2H3,(H,19,21)/p+1/b9-7+