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

Systemtic Name: (E)-3-(3-bromophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(3-bromophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(3-bromophenyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-bromophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(3-bromophenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C21H24BrN2O+ MolecularWeight: 400.33206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O/c22-20-5-3-4-17(14-20)10-11-21(25)23-15-18-6-8-19(9-7-18)16-24-12-1-2-13-24/h3-11,14H,1-2,12-13,15-16H2,(H,23,25)/p+1/b11-10+