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

Systemtic Name: (E)-3-(3-methylthiophen-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(3-methyl-2-thienyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(3-methyl-2-thiophenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-methylthiophen-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(3-methyl-2-thienyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2OS/c1-16-10-13-24-19(16)8-9-20(23)21-14-17-6-2-3-7-18(17)15-22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,21,23)/p+1/b9-8+