3-[4-[(E,3Z)-3-(1-ethylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[4-[(E,3Z)-3-(1-ethylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propanoic acid Openeye Name: 3-[4-[(E,3Z)-3-(1-ethyl-4-quinolylidene)prop-1-enyl]quinolin-1-ium-1-yl]propanoic acid CAS Name: 3-[4-[(E,3Z)-3-(1-ethyl-4-quinolinylidene)prop-1-enyl]-1-quinolin-1-iumyl]propanoic acid IUPAC Name: 3-[4-[(E,3Z)-3-(1-ethylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propanoic acid Traditional Name: 3-[4-[(E,3Z)-3-(1-ethyl-4-quinolylidene)prop-1-enyl]quinolin-1-ium-1-yl]propionic acid Formula: C26H25N2O2+ MolecularWeight: 397.4889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CCC(=O)O)C4=CC=CC=C41

Isomeric SMILES

CCN1C=C/C(=C/C=C/C2=CC=[N+](C3=CC=CC=C23)CCC(=O)O)/C4=CC=CC=C41

InChI

InChI=1S/C26H24N2O2/c1-2-27-17-14-20(22-10-3-5-12-24(22)27)8-7-9-21-15-18-28(19-16-26(29)30)25-13-6-4-11-23(21)25/h3-15,17-18H,2,16,19H2,1H3/p+1