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

Systemtic Name: (E)-3-(2-nitrophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(2-nitrophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(2-nitrophenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2-nitrophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(2-nitrophenyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3/c25-21(12-11-17-7-3-4-10-20(17)24(26)27)22-15-18-8-1-2-9-19(18)16-23-13-5-6-14-23/h1-4,7-12H,5-6,13-16H2,(H,22,25)/p+1/b12-11+