2-[(E)-4-(2-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium; dihydrogen phosphate

Systemtic Name: 2-[(E)-4-(2-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium; dihydrogen phosphate Openeye Name: 2-[(E)-4-(2-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium; dihydrogen phosphate CAS Name: 2-[(E)-4-(2-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium; dihydrogen phosphate IUPAC Name: 2-[(E)-4-(2-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium; dihydrogen phosphate Traditional Name: 2-[(E)-4-(2-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium; dihydrogen phosphate Formula: C20H30ClN2O4P MolecularWeight: 428.889961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(NC=C1)CC=CCC2=CC=CC=C2Cl.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCC[N+]1=C(NC=C1)C/C=C/CC2=CC=CC=C2Cl.OP(=O)(O)[O-]

InChI

InChI=1S/C20H27ClN2.H3O4P/c1-2-3-4-5-10-16-23-17-15-22-20(23)14-9-7-12-18-11-6-8-13-19(18)21;1-5(2,3)4/h6-9,11,13,15,17H,2-5,10,12,14,16H2,1H3;(H3,1,2,3,4)/b9-7+;