4-butyl-5-(phenylmethyl)-1H-imidazol-3-ium

Systemtic Name: 4-butyl-5-(phenylmethyl)-1H-imidazol-3-ium Openeye Name: 5-benzyl-4-butyl-1H-imidazol-3-ium CAS Name: 4-butyl-5-(phenylmethyl)-1H-imidazol-3-ium IUPAC Name: 5-benzyl-4-butyl-1H-imidazol-3-ium Traditional Name: 5-benzyl-4-butyl-1H-imidazol-3-ium Formula: C14H19N2+ MolecularWeight: 215.31406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC=[NH+]1)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(NC=[NH+]1)CC2=CC=CC=C2

InChI

InChI=1S/C14H18N2/c1-2-3-9-13-14(16-11-15-13)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,15,16)/p+1