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

Systemtic Name: 5-[4-[(Z)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[4-[(Z)-2-[4-(diethylamino)phenyl]vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[4-[(Z)-2-[4-(diethylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[4-[(Z)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[4-[(Z)-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=[N+](C=C2)CCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-3-24(4-2)21-12-10-19(11-13-21)8-9-20-14-17-23(18-15-20)16-6-5-7-22(25)26/h8-15,17-18H,3-7,16H2,1-2H3