[1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[2-(3-methylphenoxy)ethyl]-4-pyridin-1-iumyl]-phenylmethanone IUPAC Name: [1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-4-yl]-phenyl-methanone Formula: C21H20NO2+ MolecularWeight: 318.389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCC[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20NO2/c1-17-6-5-9-20(16-17)24-15-14-22-12-10-19(11-13-22)21(23)18-7-3-2-4-8-18/h2-13,16H,14-15H2,1H3/q+1