2-[4-[(E)-2-[4-[ethyl-(phenylmethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol ethanoate

Systemtic Name: 2-[4-[(E)-2-[4-[ethyl-(phenylmethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol ethanoate Openeye Name: 2-[4-[(E)-2-[4-[benzyl(ethyl)amino]phenyl]vinyl]pyridin-1-ium-1-yl]ethanol acetate CAS Name: 2-[4-[(E)-2-[4-[ethyl-(phenylmethyl)amino]phenyl]ethenyl]-1-pyridin-1-iumyl]ethanol acetate IUPAC Name: 2-[4-[(E)-2-[4-[benzyl(ethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol acetate Traditional Name: 2-[4-[(E)-2-[4-[benzyl(ethyl)amino]phenyl]vinyl]pyridin-1-ium-1-yl]ethanol acetate Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=CC3=CC=[N+](C=C3)CCO.CC(=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)/C=C/C3=CC=[N+](C=C3)CCO.CC(=O)[O-]

InChI

InChI=1S/C24H27N2O.C2H4O2/c1-2-26(20-23-6-4-3-5-7-23)24-12-10-21(11-13-24)8-9-22-14-16-25(17-15-22)18-19-27;1-2(3)4/h3-17,27H,2,18-20H2,1H3;1H3,(H,3,4)/q+1;/p-1