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

Systemtic Name: (E)-3-[2-[[1-(2-methoxypropanoyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]prop-2-enal Openeye Name: (E)-3-[2-[[1-(2-methoxypropanoyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]prop-2-enal CAS Name: (E)-3-[2-[[1-(2-methoxy-1-oxopropyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]-2-propenal IUPAC Name: (E)-3-[2-[[1-(2-methoxypropanoyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]prop-2-enal Traditional Name: (E)-3-[2-[[1-(2-methoxypropanoyl)-2H-pyridin-1-ium-1-yl]methylamino]phenyl]acrolein Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-16(24-2)19(23)21(12-6-3-7-13-21)15-20-18-11-5-4-9-17(18)10-8-14-22/h3-12,14,16H,13,15H2,1-2H3/p+1