1-[(4Z)-4-ethylidenenon-1-en-3-yl]quinolin-1-ium iodide

Systemtic Name: 1-[(4Z)-4-ethylidenenon-1-en-3-yl]quinolin-1-ium iodide Openeye Name: 1-[(2Z)-2-ethylidene-1-vinyl-heptyl]quinolin-1-ium iodide CAS Name: 1-[(4Z)-4-ethylidenenon-1-en-3-yl]quinolin-1-ium iodide IUPAC Name: 1-[(4Z)-4-ethylidenenon-1-en-3-yl]quinolin-1-ium iodide Traditional Name: 1-[(Z)-2-amyl-1-vinyl-but-2-enyl]quinolin-1-ium iodide Formula: C20H26IN MolecularWeight: 407.33161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC)C(C=C)[N+]1=CC=CC2=CC=CC=C21.[I-]

Isomeric SMILES

CCCCC/C(=C/C)/C(C=C)[N+]1=CC=CC2=CC=CC=C21.[I-]

InChI

InChI=1S/C20H26N.HI/c1-4-7-8-12-17(5-2)19(6-3)21-16-11-14-18-13-9-10-15-20(18)21;/h5-6,9-11,13-16,19H,3-4,7-8,12H2,1-2H3;1H/q+1;/p-1/b17-5-;