1-(4-ethylphenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-ethylphenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-ethylphenyl)-2-[4-[(E)-styryl]pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-ethylphenyl)-2-[4-[(E)-2-phenylethenyl]-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-ethylphenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-ethylphenyl)-2-[4-[(E)-styryl]pyridin-1-ium-1-yl]ethanone bromide Formula: C23H22BrNO MolecularWeight: 408.33088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C=CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)/C=C/C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H22NO.BrH/c1-2-19-10-12-22(13-11-19)23(25)18-24-16-14-21(15-17-24)9-8-20-6-4-3-5-7-20;/h3-17H,2,18H2,1H3;1H/q+1;/p-1/b9-8+;