4-[(E)-2-[5-methyl-1-(phenylmethyl)pyridin-1-ium-2-yl]ethenyl]benzaldehyde

Systemtic Name: 4-[(E)-2-[5-methyl-1-(phenylmethyl)pyridin-1-ium-2-yl]ethenyl]benzaldehyde Openeye Name: 4-[(E)-2-(1-benzyl-5-methyl-pyridin-1-ium-2-yl)vinyl]benzaldehyde CAS Name: 4-[(E)-2-[5-methyl-1-(phenylmethyl)-2-pyridin-1-iumyl]ethenyl]benzaldehyde IUPAC Name: 4-[(E)-2-(1-benzyl-5-methylpyridin-1-ium-2-yl)ethenyl]benzaldehyde Traditional Name: 4-[(E)-2-(1-benzyl-5-methyl-pyridin-1-ium-2-yl)vinyl]benzaldehyde Formula: C22H20NO+ MolecularWeight: 314.4003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C=C1)C=CC2=CC=C(C=C2)C=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+](=C(C=C1)/C=C/C2=CC=C(C=C2)C=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H20NO/c1-18-7-13-22(14-12-19-8-10-21(17-24)11-9-19)23(15-18)16-20-5-3-2-4-6-20/h2-15,17H,16H2,1H3/q+1/b14-12+