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

Systemtic Name: (E)-3-(3-methylphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(m-tolyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(3-methylphenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-methylphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(m-tolyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H26N2O/c1-18-7-6-8-19(15-18)11-12-22(25)23-16-20-9-2-3-10-21(20)17-24-13-4-5-14-24/h2-3,6-12,15H,4-5,13-14,16-17H2,1H3,(H,23,25)/p+1/b12-11+