(E)-3-(4-prop-2-enoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(4-prop-2-enoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(4-allyloxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(4-prop-2-enoxyphenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(4-prop-2-enoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(4-allyloxyphenyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=CC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C24H28N2O2/c1-2-17-28-23-12-9-20(10-13-23)11-14-24(27)25-18-21-7-3-4-8-22(21)19-26-15-5-6-16-26/h2-4,7-14H,1,5-6,15-19H2,(H,25,27)/p+1/b14-11+