(E)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-quinolin-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-quinolin-2-yl-prop-2-enamide Openeye Name: (E)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-(2-quinolyl)prop-2-enamide CAS Name: (E)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-3-(2-quinolinyl)-2-propenamide IUPAC Name: (E)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-quinolin-2-ylprop-2-enamide Traditional Name: (E)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]-3-(2-quinolyl)acrylamide Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22N4O/c27-22(12-10-19-9-8-18-5-1-2-6-20(18)25-19)24-16-17-7-11-21(23-15-17)26-13-3-4-14-26/h1-2,5-12,15H,3-4,13-14,16H2,(H,24,27)/p+1/b12-10+