1,3-bis[(4-butylphenyl)methyl]imidazol-1-ium chloride

Systemtic Name: 1,3-bis[(4-butylphenyl)methyl]imidazol-1-ium chloride Openeye Name: 1,3-bis[(4-butylphenyl)methyl]imidazol-1-ium chloride CAS Name: 1,3-bis[(4-butylphenyl)methyl]imidazol-1-ium chloride IUPAC Name: 1,3-bis[(4-butylphenyl)methyl]imidazol-1-ium chloride Traditional Name: 1,3-bis(4-butylbenzyl)imidazol-1-ium chloride Formula: C25H33ClN2 MolecularWeight: 396.99592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C=C[N+](=C2)CC3=CC=C(C=C3)CCCC.[Cl-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C=C[N+](=C2)CC3=CC=C(C=C3)CCCC.[Cl-]

InChI

InChI=1S/C25H33N2.ClH/c1-3-5-7-22-9-13-24(14-10-22)19-26-17-18-27(21-26)20-25-15-11-23(12-16-25)8-6-4-2;/h9-18,21H,3-8,19-20H2,1-2H3;1H/q+1;/p-1