5-[2-[(E)-2-(4-bromophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[2-[(E)-2-(4-bromophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[2-[(E)-2-(4-bromophenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-[(E)-2-(4-bromophenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[2-[(E)-2-(4-bromophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-[(E)-2-(4-bromophenyl)vinyl]pyridin-1-ium-1-yl]valerate Formula: C18H18BrNO2 MolecularWeight: 360.24502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C=CC2=CC=C(C=C2)Br)CCCCC(=O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)/C=C/C2=CC=C(C=C2)Br)CCCCC(=O)[O-]

InChI

InChI=1S/C18H18BrNO2/c19-16-10-7-15(8-11-16)9-12-17-5-1-3-13-20(17)14-4-2-6-18(21)22/h1,3,5,7-13H,2,4,6,14H2/b12-9+