(E)-N-[[1-(2-methoxyethanoyl)-1-(pyridin-3-ylmethylamino)pyrrol-1-ium-2-yl]methyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[1-(2-methoxyethanoyl)-1-(pyridin-3-ylmethylamino)pyrrol-1-ium-2-yl]methyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[1-(2-methoxyacetyl)-1-(3-pyridylmethylamino)pyrrol-1-ium-2-yl]methyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[1-(2-methoxy-1-oxoethyl)-1-(3-pyridinylmethylamino)-2-pyrrol-1-iumyl]methyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[1-(2-methoxyacetyl)-1-(pyridin-3-ylmethylamino)pyrrol-1-ium-2-yl]methyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[1-(2-methoxyacetyl)-1-(3-pyridylmethylamino)pyrrol-1-ium-2-yl]methyl]-3-phenyl-acrylamide Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)[N+]1(C=CC=C1CNC(=O)C=CC2=CC=CC=C2)NCC3=CN=CC=C3

Isomeric SMILES

COCC(=O)[N+]1(C=CC=C1CNC(=O)/C=C/C2=CC=CC=C2)NCC3=CN=CC=C3

InChI

InChI=1S/C23H24N4O3/c1-30-18-23(29)27(26-16-20-9-5-13-24-15-20)14-6-10-21(27)17-25-22(28)12-11-19-7-3-2-4-8-19/h2-15,26H,16-18H2,1H3/p+1/b12-11+