(E)-3-[2-[[1-(2-methoxyethanoyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]prop-2-enal

Systemtic Name: (E)-3-[2-[[1-(2-methoxyethanoyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]prop-2-enal Openeye Name: (E)-3-[2-[[1-(2-methoxyacetyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]prop-2-enal CAS Name: (E)-3-[2-[[1-(2-methoxy-1-oxoethyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]-2-propenal IUPAC Name: (E)-3-[2-[[1-(2-methoxyacetyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]prop-2-enal Traditional Name: (E)-3-[2-[[1-(2-methoxyacetyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]acrolein Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)[N+]1(CC=CC=C1)CNC2=CC=CC=C2C=CC=O

Isomeric SMILES

COCC(=O)[N+]1(CC=CC=C1)CNC2=CC=CC=C2/C=C/C=O

InChI

InChI=1S/C18H20N2O3/c1-23-14-18(22)20(11-5-2-6-12-20)15-19-17-10-4-3-8-16(17)9-7-13-21/h2-11,13H,12,14-15H2,1H3/p+1