(E)-3-(5-bromanylthiophen-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanylthiophen-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-thienyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-thiophenyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(5-bromothiophen-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-thienyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C19H22BrN2OS+ MolecularWeight: 406.35978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C19H21BrN2OS/c20-18-9-7-17(24-18)8-10-19(23)21-13-15-3-5-16(6-4-15)14-22-11-1-2-12-22/h3-10H,1-2,11-14H2,(H,21,23)/p+1/b10-8+