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

Systemtic Name: 2-[(E)-4-(4-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium chloride Openeye Name: 2-[(E)-4-(4-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium chloride CAS Name: 2-[(E)-4-(4-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium chloride IUPAC Name: 2-[(E)-4-(4-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium chloride Traditional Name: 2-[(E)-4-(4-chlorophenyl)but-2-enyl]-3-heptyl-1H-imidazol-3-ium chloride Formula: C20H28Cl2N2 MolecularWeight: 367.35572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(NC=C1)CC=CCC2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CCCCCCC[N+]1=C(NC=C1)C/C=C/CC2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C20H27ClN2.ClH/c1-2-3-4-5-8-16-23-17-15-22-20(23)10-7-6-9-18-11-13-19(21)14-12-18;/h6-7,11-15,17H,2-5,8-10,16H2,1H3;1H/b7-6+;