1-methyl-3-(3-phenylpropyl)imidazol-1-ium chloride

Systemtic Name: 1-methyl-3-(3-phenylpropyl)imidazol-1-ium chloride Openeye Name: 1-methyl-3-(3-phenylpropyl)imidazol-1-ium chloride CAS Name: 1-methyl-3-(3-phenylpropyl)imidazol-1-ium chloride IUPAC Name: 1-methyl-3-(3-phenylpropyl)imidazol-1-ium chloride Traditional Name: 1-methyl-3-(3-phenylpropyl)imidazol-1-ium chloride Formula: C13H17ClN2 MolecularWeight: 236.74048

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H17N2.ClH/c1-14-10-11-15(12-14)9-5-8-13-6-3-2-4-7-13;/h2-4,6-7,10-12H,5,8-9H2,1H3;1H/q+1;/p-1