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

Systemtic Name: 5-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[2-[(E)-2-[4-(diethylamino)phenyl]vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-[(E)-2-[4-(diethylamino)phenyl]vinyl]pyridin-1-ium-1-yl]valerate Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CCCCC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2CCCCC(=O)[O-]

InChI

InChI=1S/C22H28N2O2/c1-3-23(4-2)21-15-12-19(13-16-21)11-14-20-9-5-7-17-24(20)18-8-6-10-22(25)26/h5,7,9,11-17H,3-4,6,8,10,18H2,1-2H3