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

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H26N2O2/c1-26-21-11-5-4-8-18(21)12-13-22(25)23-16-19-9-2-3-10-20(19)17-24-14-6-7-15-24/h2-5,8-13H,6-7,14-17H2,1H3,(H,23,25)/p+1/b13-12+