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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C[N+](=C1)CC=CCC2=CC=C(C=C2)Cl.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCCN1C=C[N+](=C1)C/C=C/CC2=CC=C(C=C2)Cl.OP(=O)(O)[O-]

InChI

InChI=1S/C20H28ClN2.H3O4P/c1-2-3-4-5-7-14-22-16-17-23(18-22)15-8-6-9-19-10-12-20(21)13-11-19;1-5(2,3)4/h6,8,10-13,16-18H,2-5,7,9,14-15H2,1H3;(H3,1,2,3,4)/q+1;/p-1/b8-6+;