(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]pyridin-2-yl]prop-2-enoate

Systemtic Name: (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]pyridin-2-yl]prop-2-enoate Openeye Name: (E)-3-[6-[(E)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]-2-pyridyl]prop-2-enoate CAS Name: (E)-3-[6-[(E)-1-(4-methylphenyl)-3-(1-pyrrolidin-1-iumyl)prop-1-enyl]-2-pyridinyl]-2-propenoate IUPAC Name: (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-[(E)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]-2-pyridyl]acrylate Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC[NH+]2CCCC2)C3=CC=CC(=N3)C=CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\C[NH+]2CCCC2)/C3=CC=CC(=N3)/C=C/C(=O)[O-]

InChI

InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+