1-[[4-[(2-methanoylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-2-carbaldehyde

Systemtic Name: 1-[[4-[(2-methanoylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-2-carbaldehyde Openeye Name: 1-[[4-[(2-formylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-2-carbaldehyde CAS Name: 1-[[4-[(2-formyl-1-pyridin-1-iumyl)methyl]phenyl]methyl]-2-pyridin-1-iumcarboxaldehyde IUPAC Name: 1-[[4-[(2-formylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-2-carbaldehyde Traditional Name: 1-[4-[(2-formylpyridin-1-ium-1-yl)methyl]benzyl]pyridin-1-ium-2-carbaldehyde Formula: C20H18N2O2+2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C=O)CC2=CC=C(C=C2)C[N+]3=CC=CC=C3C=O

Isomeric SMILES

C1=CC=[N+](C(=C1)C=O)CC2=CC=C(C=C2)C[N+]3=CC=CC=C3C=O

InChI

InChI=1S/C20H18N2O2/c23-15-19-5-1-3-11-21(19)13-17-7-9-18(10-8-17)14-22-12-4-2-6-20(22)16-24/h1-12,15-16H,13-14H2/q+2