(E)-2-(1-oxidanidylpyridin-1-ium-4-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-(1-oxidanidylpyridin-1-ium-4-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)prop-2-enoic acid CAS Name: (E)-2-(1-oxido-4-pyridin-1-iumyl)-3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(1-oxidopyridin-1-ium-4-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)acrylic acid Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(C4=CC=[N+](C=C4)[O-])C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)/C=C(\C4=CC=[N+](C=C4)[O-])/C(=O)O

InChI

InChI=1S/C26H22N2O3/c1-17(2)22-15-21-7-4-10-27-25(21)23(16-22)20-6-3-5-18(13-20)14-24(26(29)30)19-8-11-28(31)12-9-19/h3-17H,1-2H3,(H,29,30)/b24-14+