(E)-3-(5-methylthiophen-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-methylthiophen-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(5-methyl-2-thienyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(5-methyl-2-thiophenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(5-methylthiophen-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(5-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=CC=C(S1)C=CC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C20H24N2OS/c1-16-8-9-19(24-16)10-11-20(23)21-14-17-6-2-3-7-18(17)15-22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23)/p+1/b11-10+